SCHEMBL9512837

SCHEMBL9512837

CCCC(C)C=C1CCCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL809609 0.96 ALDH1A1 (0.34) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL812178 0.96 ALDH1A1 (0.34) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL6901403 0.86 TP53 (0.34) ALDH1A1KMT2AHTT
SCHEMBL6901400 0.86 TP53 (0.34) ALDH1A1KMT2AHTT
SCHEMBL6902528 0.83 ADH1B (0.35) ALDH1A1HTT
SCHEMBL6902527 0.83 ADH1B (0.35) ALDH1A1HTT
SCHEMBL6900658 0.81 ALDH1A1 (0.36) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL1077341 0.81 ALDH1A1 (0.36) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL1078383 0.79 ALDH1A1 (0.35) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL11040965 0.76 RAB9A (0.36) NPC1RAB9AHPGDMAPTSMN1; SMN2

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 4 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