SCHEMBL8987461

SCHEMBL8987461

CCOC(=O)CCCCCCCSc1nc2cc(OC)ccc2cc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
NFKB1 P19838 1/20 0.50
CASP1 P29466 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.46
PTPN1 P18031 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL8987244 0.87 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDNPSR1
SCHEMBL8987022 0.83 PTPN1 (0.52) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8987362 0.73 LTB4R (0.58) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL7368226 0.71 CNR2 (0.57) KDM4EMAPTGAAPTGDR2MEN1
SCHEMBL7516291 0.71 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMAPTHSD17B10
SCHEMBL8987239 0.70 FAAH (0.48) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8987067 0.70 FAAH (0.48) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8987043 0.70 FAAH (0.48) ALDH1A1KDM4ENPC1RAB9AMAPT
SCHEMBL8987409 0.69 PPARG (0.50) KDM4EMAPTMEN1KMT2A
SCHEMBL7364397 0.69 HDAC1 (0.57) ALDH1A1KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed