SCHEMBL8910431

SCHEMBL8910431

Cc1cc(C(CCCCl)=C2CCCCN2)ccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.35
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1B P47901 1/20 0.34
RARB P10826 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK2 P24941 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.31
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 1/20 0.30

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
SCHEMBL8912193 0.75 PLAU (0.35) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL8910380 0.74 NPC1 (0.33) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL8912125 0.73 HDAC1 (0.33) SMN1; SMN2MAPT
SCHEMBL8912610 0.72 PDE4A (0.38)
SCHEMBL5764963 0.62 NPC1 (0.54) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL2026285 0.61 ESR2 (0.55) ESR2OXTRAVPR1AAVPR2AVPR1B
SCHEMBL9164917 0.61 ESR2 (0.58) ESR2OXTRAVPR1AAVPR2AVPR1B
SCHEMBL13652481 0.61 ESR2 (0.58) ESR2OXTRAVPR1AAVPR2AVPR1B
Hydrochloric Acid SCHEMBL10749720 0.61 NPC1 (0.53) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL29707122 0.61 ESR2 (0.58) ESR2RARBL3MBTL1

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-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed