SCHEMBL9621322

SCHEMBL9621322

Cc1ccccc1SCCC=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.41
HTR7 P34969 2/20 0.40
MCHR1 Q99705 1/20 0.40
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOTUM Q6P988 1/20 0.36
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
PTGS2 P35354 1/20 0.33
ACHE P22303 1/20 0.33
HPGD P15428 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
SCHEMBL9770355 0.81 HTR7 (0.48) RAB9ASMN1; SMN2MAPTNPC1HTR7
SCHEMBL29738631 0.81 HTR7 (0.48) RAB9ASMN1; SMN2MAPTNPC1HTR7
SCHEMBL2558474 0.80 MCHR1 (0.42) RAB9ASMN1; SMN2MAPTNPC1HTR7
SCHEMBL5170853 0.77 HTR7 (0.46) RAB9ASMN1; SMN2MAPTNPC1HTR7
SCHEMBL5536011 0.77 POLB (0.38) RAB9ASMN1; SMN2NPC1HTR7ALDH1A1
SCHEMBL8844526 0.77 EPHX2 (0.45) RAB9ASMN1; SMN2MAPTNPC1TSHR
SCHEMBL5540207 0.77 RAB9A (0.41) RAB9ASMN1; SMN2MAPTNPC1TSHR
SCHEMBL9621601 0.77 MTNR1A (0.55) ALDH1A1TDP1POLBPTGS2
SCHEMBL9621760 0.76 RAB9A (0.44) RAB9ASMN1; SMN2MAPTNPC1HTR7
SCHEMBL9621761 0.76 RAB9A (0.44) RAB9ASMN1; SMN2MAPTNPC1HTR7

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
EP-0323915-B1 BETA-HYDROXYKETONE AND ITS PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
US-5101076-A β-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-31 US disclosed
US-5041679-A Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
EP-0323915-A1 Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-07-12 EP disclosed