SCHEMBL9778956

SCHEMBL9778956

CCC1(c2ccc(OCc3ccc(C)cc3)cc2)SCCS1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 8/20 0.46
PARP10 Q53GL7 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
FFAR1 O14842 1/20 0.42
MAOA P21397 4/20 0.41
LMNA P02545 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL9778801 0.94 HRH3 (0.47) HPGDHRH3ALDH1A1MAPTMAPK1
SCHEMBL9778707 0.87 MMP2 (0.48) HPGDALDH1A1MAPTMAOBNPC1
SCHEMBL9778734 0.87 DRD2 (0.40) ALDH1A1MAPTNPC1
SCHEMBL19925337 0.83 MAOB (0.35) MAOBMAOAOPRM1
SCHEMBL9778937 0.82 HPGD (0.48) HPGDHRH3ALDH1A1MAPTMAPK1
SCHEMBL9778544 0.82 MMP2 (0.46) HPGDHRH3ALDH1A1MAPTMAOB
SCHEMBL9778490 0.81 KDM4E (0.41) HRH3ALDH1A1NPC1
SCHEMBL9778522 0.78 MAOB (0.44) HPGDHRH3ALDH1A1MAPTMAPK1
SCHEMBL9778701 0.77 HRH3 (0.49) HPGDHRH3ALDH1A1MAPTMAPK1
SCHEMBL8930213 0.76 MAOB (0.69) HRH3ALDH1A1MAPTMAPK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed