SCHEMBL9728892

SCHEMBL9728892

CCCc1c(OC)ccc(C(=O)OC)c1OCOC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.40
CYSLTR1 Q9Y271 11/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTB4R Q15722 1/20 0.36

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
SCHEMBL9729416 0.88 MAPT (0.44) CYSLTR2CYSLTR1PPARGPPARATDP1
SCHEMBL3956931 0.83 MAPT (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL9728468 0.79 PPARG (0.48) CYSLTR2CYSLTR1PPARGPPARDPPARA
SCHEMBL9729015 0.78 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL9729444 0.76 NPC1 (0.39) CYSLTR2CYSLTR1NPC1RAB9AALDH1A1
SCHEMBL6938240 0.74 CTSD (0.48) NPC1RAB9ASMN1; SMN2TDP1MAPT
SCHEMBL15096303 0.74 KDM4E (0.42) ALDH1A1TDP1MAPT
SCHEMBL7867154 0.74 GAA (0.48) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14899668 0.73 TSHR (0.48) ALDH1A1MAPT
SCHEMBL4032438 0.72 ALDH1A1 (0.51) NPC1MAPK1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155106-A Reduced side effects TERUMO KABUSHIKI KAISHA (JP) 1992-10-13 US disclosed
EP-0400144-A1 CYSTEAMINE DERIVATIVES AND ANTI-RHEUMATIC AGENT CONTAINING SAME TERUMO KABUSHIKI KAISHA (JP) 1990-12-05 EP disclosed