SCHEMBL9460010

SCHEMBL9460010

CCOC(=O)[C@@H](C)n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP26A1 O43174 4/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 1/20 0.39
FPR2 P25090 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL6171379 1.00 TBXA2R (0.41) TBXA2RKMT2AKDM4EALDH1A1MAPT
SCHEMBL27455193 0.84 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1MAPTPKM
SCHEMBL28789383 0.84 TBXA2R (0.44) TBXA2RKMT2AKDM4EALDH1A1MAPT
SCHEMBL27553812 0.82 CYP26A1 (0.50) TBXA2RKMT2AKDM4EALDH1A1MAPT
SCHEMBL27819912 0.82 PIK3R1 (0.45) TBXA2RHTTCYP26A1SMN1; SMN2CYP19A1
SCHEMBL27565163 0.82 PIK3R1 (0.45) TBXA2RHTTCYP26A1SMN1; SMN2CYP19A1
SCHEMBL26660824 0.81 CYP26A1 (0.41) KMT2AKDM4EALDH1A1MAPTPKM
SCHEMBL25196732 0.80 CYP26A1 (0.40) TBXA2RKMT2AKDM4EALDH1A1MAPT
SCHEMBL4552326 0.79 KMT2A (0.39) TBXA2RKMT2AKDM4EALDH1A1MAPT
SCHEMBL29852421 0.79 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTPKM

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-0473626-B1 NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1993-12-01 EP disclosed
US-5206253-A DISPHOSPHONIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM, GMBH (DE) 1993-04-27 US disclosed
EP-0473626-A1 NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. BOEHRINGER MANNHEIM GMBH (DE) 1992-03-11 EP disclosed
WO-1990014348-A1 NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1990-11-29 WO disclosed