SCHEMBL29959360

SCHEMBL29959360

CC(O)c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
RIPK1 Q13546 1/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
BACE1 P56817 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
PDE2A O00408 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL23212814 1.00 CES2 (0.41) CES2CES1RIPK1GAAALDH1A1
SCHEMBL1396928 1.00 CES2 (0.41) CES2CES1RIPK1GAAALDH1A1
SCHEMBL20238836 0.84 CES2 (0.48) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL28820045 0.84 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL22339022 0.84 CES2 (0.48) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL23212908 0.84 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL2292937 0.84 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1154723 0.84 CES2 (0.48) CES2CES1ALDH1A1HPGDCYP1A2
SCHEMBL16067539 0.84 RIPK1 (0.39) CES2CES1RIPK1GAAALDH1A1
SCHEMBL16055661 0.84 RIPK1 (0.39) CES2CES1RIPK1GAAALDH1A1

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
WO-2025096957-A1 RAS-PI3K INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
CN-119823112-A ATF6 modulators and uses thereof 阿尔托斯实验室公司 2025-04-15 CN disclosed
CN-115135645-B ATF6 modulators and uses thereof 阿尔托斯实验室公司 2024-12-27 CN disclosed
CN-115135645-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-30 CN disclosed