SCHEMBL11087807

SCHEMBL11087807

CCc1cc(CC)cc(-c2ccccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.51
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MCL1 Q07820 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HEXA P06865 1/20 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
SCHEMBL7929104 0.84 HTR7 (0.67) HTR7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27741546 0.83 HTR7 (0.51) HTR7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9817061 0.81 CA12 (0.48) HTR7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13870160 0.80 HTR7 (0.45) HTR7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19897390 0.79 TSHR (0.50) HTR7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11442505 0.78 HTR7 (0.59) HTR7ALDH1A1LMNAMAPTMAPK1
SCHEMBL10592210 0.78 HTR7 (0.54) HTR7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17127669 0.73 MMP13 (0.44) FFAR1
SCHEMBL11079208 0.73 HTR7 (0.44) HTR7NPC1RAB9ASMN1; SMN2CA12
SCHEMBL11119481 0.73 RXRA (0.59) SMN1; SMN2ALDH1A1MAPTL3MBTL1TP53

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-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 US claimed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 US disclosed