SCHEMBL9461007

SCHEMBL9461007

CON=C(COCc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.43
SLC6A4 P31645 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GSK3B P49841 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.39
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
NAAA Q02083 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL9461025 0.87 IDO1 (0.43) FFAR1MAPTSLC6A4RAB9AALDH1A1
SCHEMBL9461006 0.86 MRGPRX4 (0.47) FFAR1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL9377338 0.81 TSHR (0.50) TSHRMAPTNPC1RAB9AALDH1A1
SCHEMBL22668297 0.80 GSK3B (0.46) FFAR1TSHRMAPTSLC6A4ALDH1A1
SCHEMBL15239262 0.79 FFAR1 (0.71) FFAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL15239260 0.79 FFAR1 (0.71) FFAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL10260985 0.79 FFAR1 (0.62) FFAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL10261127 0.79 FFAR1 (0.71) FFAR1MAPTNPC1RAB9AALDH1A1
SCHEMBL22668296 0.77 FFAR1 (0.64) FFAR1MAPTSLC6A4NPC1RAB9A
SCHEMBL2046346 0.76 DRD4 (0.50) MAPTSLC6A4ALDH1A1GSK3BKMT2A

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-5231227-A Optically active hydroxybenzylamine derivative and process for producing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-27 US disclosed
EP-0311385-B1 OPTICALLY ACTIVE HYDROXYBENZYLAMINE DERIVATIVE, OPTICALLY ACTIVE AMINE-BORON COMPOUND CONTAINING SAID DERIVATIVE, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND BY USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-03 EP disclosed
US-5120853-A Reacting optically active amine-boron complex with oxime or ketone to produce opotically active amine or alcohol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-09 US disclosed
US-5011989-A Asymmetric reducing agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-30 US disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed