SCHEMBL29140862

SCHEMBL29140862

O=C(NC1CCC(OC(F)(F)F)C1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
TSHR P16473 1/20 0.57
EPHX1 P07099 1/20 0.51
TLR4 O00206 1/20 0.51
CPB1 P15086 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
DPP4 P27487 5/20 0.48
DPP7 Q9UHL4 5/20 0.48
KCNH2 Q12809 3/20 0.47
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
FAAH O00519 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL18560208 0.85 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL8606778 0.84 ALDH1A1 (0.61) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL10586925 0.84 ALDH1A1 (0.61) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL3549759 0.81 ALDH1A1 (0.61) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL381922 0.81 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL3948461 0.81 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL3948456 0.81 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL18623681 0.81 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL3538525 0.81 ALDH1A1 (0.67) ALDH1A1GAATSHREPHX1TLR4
SCHEMBL14709053 0.81 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4549438-A1 FIVE-MEMBERED AND SIX-MEMBERED NITROGEN-CONTAINING COMPOUND, AND INTERMEDIATE, PREPARATION METHOD AND USE THEREOF Hangzhou Synrx Therapeutics Biomedical Technology Co., Ltd. (CN) 2025-05-07 EP disclosed
CN-117304183-A Five-membered and six-membered nitrogen-containing compound, intermediate thereof, preparation method and application 杭州圣域生物医药科技有限公司 2023-12-29 CN disclosed
CN-117098753-A Modulators of integrated stress response pathways 埃沃特克国际有限责任公司 2023-11-21 CN disclosed
EP-4232153-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY Evotec International GmbH (DE) 2023-08-30 EP disclosed
WO-2022084446-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2022-04-28 WO disclosed