SCHEMBL21082339

SCHEMBL21082339

C=C(C)/C(C=C(C)C)=C(/C)Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGAV P06756 1/20 0.40
▸ ITGA5 P08648 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38

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
SCHEMBL24732254 0.81 HPGD (0.55) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL25865367 0.73 HPGD (0.59) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL11125037 0.73 HPGD (0.63) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL5766105 0.73 HPGD (0.63) HPGDALDH1A1NPC1RAB9AALOX12
SCHEMBL959541 0.72 NPC1 (0.77) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL13433106 0.70 NPC1 (0.61) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL20035718 0.70 NPC1 (0.55) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL18599981 0.69 HPGD (0.53) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL15394679 0.68 HPGD (0.56) HPGDALDH1A1NPC1RAB9AALOX12
SCHEMBL22787322 0.67 HPGD (0.61) HPGDALDH1A1NPC1RAB9ASIGMAR1

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
EP-3492473-A1 HAPTENS OF OLANZIPINE Janssen Pharmaceutica NV (BE) 2019-06-05 — — EP disclosed
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