SCHEMBL21757360

SCHEMBL21757360

COc1cc(Br)c(C)cc1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKDC P78527 1/20 0.42
TNFSF11 O14788 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 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
SCHEMBL21757362 0.83 GALR3 (0.42) LCKFYNTSHRSMN1; SMN2CYP1A2
SCHEMBL1505362 0.82 MAPT (0.52) LCKFYNTSHRSMN1; SMN2PRKDC
SCHEMBL22116610 0.78 LCK (0.67) LCKFYNTSHRSMN1; SMN2CA12
SCHEMBL1919374 0.78 LCK (0.61) LCKFYNTSHRSMN1; SMN2CA12
SCHEMBL21757393 0.77 TSHR (0.38) TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL21757383 0.76 PTGDR2 (0.40) TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1
SCHEMBL22117016 0.73 LCK (0.50) LCKFYNTSHRSMN1; SMN2PRKDC
SCHEMBL21823555 0.73 PRKDC (0.52) LCKFYNTSHRSMN1; SMN2PRKDC
SCHEMBL4862450 0.72 LCK (0.39) LCKFYNTSHRTNFSF11CYP1A2
SCHEMBL10122740 0.72 TSHR (0.47) TSHRSMN1; SMN2CYP1A2CYP2C19ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842410-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF Beijing Wholesomeyird Sci & Tech Co., Ltd. (CN) 2021-06-30 EP disclosed
WO-2020038464-A1 FIBRIC ACID COMPOUND AND MEDICAL USE THEREOF 北京厚燊药德科技有限责任公司 2020-02-27 WO disclosed