SCHEMBL856168

SCHEMBL856168

CC1(c2cccc(C=O)c2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
UNG P13051 1/20 0.37
MAPK1 P28482 2/20 0.36
BRD4 O60885 1/20 0.36
CYP2A6 P11509 1/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 1/20 0.33
BUB1 O43683 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPY5R Q15761 1/20 0.33
PRKDC P78527 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3279952 0.79 ALDH1A1 (0.37) ALDH1A1UNGBRD4CYP2A6SRC
SCHEMBL3127971 0.79 ALDH1A1 (0.37) ALDH1A1UNGBRD4CYP2A6HSD17B10
SCHEMBL3130144 0.78 CYP2A6 (0.41) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL309992 0.77 ALDH1A1 (0.44) ALDH1A1TSHRMAPTGAAUNG
SCHEMBL3652080 0.76 ALDH1A1 (0.40) ALDH1A1TSHRUNGBRD4CYP2A6
SCHEMBL30525038 0.76 ALDH1A1 (0.40) ALDH1A1TSHRUNGBRD4CYP2A6
SCHEMBL1166748 0.75 CYP11B1 (0.42) ALDH1A1TSHRSMN1; SMN2LMNAMAPT
SCHEMBL14253687 0.75 KDM1A (0.53) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL6155682 0.74 PTPN1 (0.43)
SCHEMBL3786132 0.74 SMN1; SMN2 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 WO disclosed
WO-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 WO disclosed
CN-102414168-B Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2014-05-21 CN disclosed
CN-101903378-B Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2014-03-12 CN disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
EP-2143714-B1 TETRAHYDROISOQUINOLINE COMPOUND KOWA CO (JP) 2013-06-05 EP disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed
EP-0183848-B1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-09-12 EP disclosed
US-4918074-A CALCIUM ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
EP-0183848-A1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-11 EP disclosed