SCHEMBL29331747

SCHEMBL29331747

Cc1c(OC(C)Cc2ccc(C(F)(F)F)cc2)ccnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ FFAR1 O14842 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MBOAT4 Q96T53 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL29331744 0.82 PTGDR2 (0.38) PTGDR2CNR1
SCHEMBL29331660 0.78 CYP11B1 (0.45) PPARGPPARAKMT2AMEN1KCNH2
SCHEMBL29331955 0.76 GRM2 (0.36) PTGDR2MDM2MRGPRX4CNR1CNR2
SCHEMBL29331748 0.76 KCNH2 (0.41) FFAR1KMT2AKCNH2RAB9A
SCHEMBL29331746 0.68 DAO (0.38) PPARGPPARAFFAR1MRGPRX4KCNH2
SCHEMBL29332375 0.65 DAO (0.38) CNR1
SCHEMBL30938612 0.65 DAO (0.38) CNR1
SCHEMBL2329086 0.65 ALDH1A1 (0.47) PPARGPPARAP2RX3KCNH2TMEM97
SCHEMBL2662219 0.64 ALDH1A1 (0.55) P2RX3NPC1RAB9AALDH1A1
SCHEMBL5218719 0.64 DHFR (0.61) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
Send feedback