SCHEMBL7046252

SCHEMBL7046252

COC(=O)/C(=C/C(C)(C)C)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
TET2 Q6N021 1/20 0.33
TGFBR1 P36897 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL7046254 1.00 GRIK1 (0.39) GRIK1EGLN1TSHRKDM4ERECQL
SCHEMBL7121339 0.86 GRIK1 (0.38) GRIK1TSHRKDM4ERECQLLDHA
SCHEMBL25245418 0.82 GRIK1 (0.36) GRIK1TSHRKDM4ERECQLALDH1A1
SCHEMBL14280076 0.80 GRIK1 (0.52) GRIK1TSHRKDM4ERECQLTET2
SCHEMBL12373465 0.78 EGLN1 (0.43) GRIK1EGLN1TSHRKDM4ERECQL
SCHEMBL15741484 0.74 TSHR (0.60) EGLN1TSHRKDM4ERECQLTET2
SCHEMBL2926536 0.74 TSHR (0.60) EGLN1TSHRKDM4ERECQLTET2
SCHEMBL2926538 0.74 TSHR (0.60) EGLN1TSHRKDM4ERECQLTET2
SCHEMBL12101265 0.74 EGLN1 (0.40) EGLN1TSHRKDM4ERECQLTET2
SCHEMBL3146499 0.73 POLB (0.41) TSHRALDH1A1

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-1042270-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2003-04-09 EP disclosed
US-6207853-B1 SUCCINIC ACID DERIVATIVE CHIROTECH TECHNOLOGY, INC. (GB) 2001-03-27 US disclosed
EP-1042270-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2000-10-11 EP disclosed
WO-1999031041-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-06-24 WO disclosed