SCHEMBL5806232

SCHEMBL5806232

COc1ccc(C[C@@H](C)NC(=O)CCl)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.60
FPR2 P25090 1/20 0.60
LDHA P00338 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GPR139 Q6DWJ6 1/20 0.51

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
SCHEMBL5320238 1.00 ACACB (0.60) ACACBFPR2LDHAALDH1A1GPR139
SCHEMBL5318434 0.85 ACACB (0.60) ACACBFPR2LDHAALDH1A1GPR139
SCHEMBL9125957 0.83 ACACB (0.83) ACACB
SCHEMBL9124054 0.83 ACACB (0.83) ACACB
SCHEMBL9244365 0.83 ACACB (0.83) ACACB
SCHEMBL16766937 0.82 LDHA (0.50) ACACBFPR2LDHAALDH1A1
SCHEMBL29197625 0.82 LDHA (0.50) ACACBFPR2LDHAALDH1A1
SCHEMBL4774975 0.82 LDHA (0.50) ACACBFPR2LDHAALDH1A1
SCHEMBL20058921 0.81 ACACB (0.63) ACACBFPR2LDHAALDH1A1
SCHEMBL19683081 0.80 ACACB (0.65) ACACBFPR2ALDH1A1

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
WO-2006070285-A2 ENZYMATIC PREPARATION OF AN INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF TAMSULOSIN QUIMICA SINTETICA, S.A. (ES) 2006-07-06 WO claimed
US-20060148046-A1 Enzymatic process for the preparation of an intermediate compound and use thereof for the synthesis of tamsulosin hydrochloride QUIMICA SINTETICA, S.A. 2006-07-06 US claimed
WO-2006070285-A2 ENZYMATIC PREPARATION OF AN INTERMEDIATE COMPOUND FOR THE SYNTHESIS OF TAMSULOSIN QUIMICA SINTETICA, S.A. (ES) 2006-07-06 WO disclosed
US-20060148046-A1 Enzymatic process for the preparation of an intermediate compound and use thereof for the synthesis of tamsulosin hydrochloride QUIMICA SINTETICA, S.A. 2006-07-06 US disclosed
WO-2006009819-A1 INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTIEN ARRAY BIOPHARMA INC. (US) 2006-01-26 WO disclosed