SCHEMBL7212889

SCHEMBL7212889

Cc1ccc(CC(C)OC2CCCCO2)c(CBr)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
USP2 O75604 1/20 0.31
TACR1 P25103 2/20 0.31

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
SCHEMBL7217804 0.85 NPC1 (0.43) KDM4EALDH1A1HSD17B10TSHRRAB9A
SCHEMBL7211776 0.84 KDM4C (0.36) KDM4EALDH1A1RAB9ANPC1KDM4C
SCHEMBL9119549 0.78 DHFR (0.31) KDM4C
SCHEMBL9123646 0.78 DHFR (0.35) ALDH1A1HPGDRAB9ANPC1KDM4C
SCHEMBL2014844 0.77 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL14570067 0.75 KMT2A (0.41) KDM4EALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL7050550 0.74 SIGMAR1 (0.39) HPGDKDM4C
SCHEMBL17145065 0.73 DPP4 (0.41) TACR1
SCHEMBL6253583 0.73
SCHEMBL6253588 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178960-B1 VITAMIN D ANALOGUES AND THEIR PHARMACEUTICAL USE LEO PHARMA AS (DK) 2003-11-05 EP disclosed
EP-1178960-A1 VITAMIN D ANALOGUES AND THEIR PHARMACEUTICAL USE LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-02-13 EP disclosed
WO-2000064869-A1 VITAMIN D ANALOGUES AND THEIR PHARMACEUTICAL USE Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2000-11-02 WO disclosed