SCHEMBL9511708

SCHEMBL9511708

CCC/C=C1\CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
EGFR P00533 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 7/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL9511716 1.00 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL11151421 0.98 NPC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL11151417 0.98 NPC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL1043282 0.96 ALDH1A1 (0.38) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL6902803 0.96 ALDH1A1 (0.38) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL9404901 0.88 CCR6 (0.44) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL9404904 0.88 CCR6 (0.44) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL10938177 0.86 CCR6 (0.40) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL4218362 0.86 CCR6 (0.40) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL2047273 0.86 CCR6 (0.40) NPC1RAB9AMAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081310-A PROCESS FOR PREPARING OPTICALLY ACTIVE KETONES TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-01-14 US claimed
EP-0409530-B1 Catalytic preparation of optically active ketones TAKASAGO PERFUMERY CO LTD (JP) 1993-12-08 EP disclosed
US-5081310-A PROCESS FOR PREPARING OPTICALLY ACTIVE KETONES TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-01-14 US disclosed
EP-0409530-A1 Catalytic preparation of optically active ketones Takasago International Corporation (JP) 1991-01-23 EP disclosed
US-4395413-A NICOTINE ANTIALLERGEN, ANESTHETIC, ANALGESIC, HYPOTENSIVE, AND ANTIULCER AGENT EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-07-26 US disclosed