SCHEMBL31366931

SCHEMBL31366931

Cc1cc(CBr)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.53
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
CSNK2A1 P68400 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERBB2 P04626 1/20 0.40
CDK2 P24941 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
FOLH1 Q04609 1/20 0.38
HTR7 P34969 1/20 0.38
RARB P10826 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
SCHEMBL12050458 1.00 ESR2 (0.53) ESR2PPARGPPARATRPA1ALDH1A1
Formic Acid SCHEMBL28479997 0.90 ESR2 (0.49) ESR2PPARGPPARAMEN1LMNA
SCHEMBL11480904 0.88 RARB (0.39) ESR2PPARGPPARATRPA1ALDH1A1
SCHEMBL15413958 0.82 ESR2 (0.60) ESR2PPARGPPARAALDH1A1TSHR
SCHEMBL10520096 0.82 ESR2 (0.55) ESR2PPARGPPARAALDH1A1CSNK2A1
SCHEMBL21415408 0.82 ESR2 (0.47) ESR2PPARGPPARAHTR7RARB
SCHEMBL1373277 0.82 ALDH1A1 (0.48) ESR2TRPA1ALDH1A1TSHRCSNK2A1
SCHEMBL31366924 0.81 PTGS1 (0.43) ESR2PPARGPPARARARBOXTR
SCHEMBL24093211 0.81 ESR2 (0.53) ESR2PPARGPPARACSNK2A1MEN1
SCHEMBL2572842 0.81 CSNK2A1 (0.62) ESR2PPARGPPARACSNK2A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070130-A S1PR4 modulator compounds for myopathy treatment and uses thereof 生元泽通(上海)医药有限公司 2026-05-19 CN disclosed
CN-122029146-A S1PR4 modulator compounds for the treatment of autoimmune diseases and uses thereof 生元泽通(上海)医药有限公司 2026-05-12 CN disclosed
WO-2025077707-A1 S1PR4 REGULATOR COMPOUND FOR AUTOIMMUNE DISEASE TREATMENT AND APPLICATION THEREOF 华东师范大学 2025-04-17 WO disclosed
WO-2025077706-A1 S1PR4 REGULATOR COMPOUND FOR MUSCLE DISEASE TREATMENT AND APPLICATION THEREOF 华东师范大学 2025-04-17 WO disclosed
CN-119775186-A S1PR4 modulator compounds for myopathy treatment and uses thereof 华东师范大学 2025-04-08 CN disclosed
CN-119775185-A S1PR4 modulator compounds for the treatment of autoimmune diseases and uses thereof 华东师范大学 2025-04-08 CN disclosed
CN-119487006-A Amide compounds as PGE2 receptor antagonists 广东新契生物医药科技有限公司 2025-02-18 CN disclosed