SCHEMBL29345448

SCHEMBL29345448

CC1=CC(C(=O)O)=CC(F)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 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
SCHEMBL8472068 0.77 ALDH1A1 (0.38) ALDH1A1LMNAPOLB
SCHEMBL12020912 0.63 ALDH1A1 (0.35) ALDH1A1LMNAPOLB
SCHEMBL23912109 0.63 GABRR1 (0.34) ALDH1A1LMNAPOLB
SCHEMBL16181677 0.61 KDM4E (0.30) —
SCHEMBL10808532 0.61 PTPN1 (0.35) ALDH1A1LMNA
SCHEMBL22649267 0.61 NOTUM (0.30) —
SCHEMBL18755186 0.60 ALDH1A1 (0.40) ALDH1A1LMNAPOLB
SCHEMBL29686016 0.59 KDM4E (0.33) —
SCHEMBL16181685 0.59 — —
SCHEMBL20860719 0.58 TPMT (0.30) —

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
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 — — EP disclosed
Send feedback