SCHEMBL31346922

SCHEMBL31346922

NC(=O)Cc1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ CA2 P00918 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ NOS3 P29474 2/20 0.43
▸ NOS1 P29475 2/20 0.43
▸ NOS2 P35228 2/20 0.43
▸ ACMSD Q8TDX5 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ DAO P14920 1/20 0.40

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
SCHEMBL28031264 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3CA2KDM4E
SCHEMBL10339219 0.91 CA2 (0.54) CA2KDM4EALDH1A1LMNAPOLB
SCHEMBL1561556 0.84 CYP4F2 (0.49) CA2KDM4EALDH1A1NOS3NOS1
SCHEMBL7770968 0.83 ENPP2 (0.52) CA2KDM4EALDH1A1ENPP2NOS3
SCHEMBL21728869 0.83 AKR1B1 (0.58) CA2KDM4ETSHRLMNAPOLB
SCHEMBL29351393 0.82 CA2 (0.45) CA2KDM4EALDH1A1NOS3NOS1
SCHEMBL22265815 0.82 CA2 (0.45) CA2KDM4EALDH1A1NOS3NOS1
SCHEMBL7770956 0.82 LMNA (0.46) CA2KDM4EALDH1A1LMNAPOLB
SCHEMBL27315443 0.82 KDM4E (0.46) CA2KDM4EALDH1A1LMNAPOLB
SCHEMBL1401775 0.81 AKR1B1 (0.60) CA2KDM4EALDH1A1ENPP2ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719396-A2 NON-PEPTIDE SMALL MOLECULE FGF14:NAV1.6 CHANNEL COMPLEX PROTEIN-PROTEIN INTERACTION MODULATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-04-08 — — EP disclosed
WO-2024254218-A2 NON-PEPTIDE SMALL MOLECULE FGF14:NAV1.6 CHANNEL COMPLEX PROTEIN-PROTEIN INTERACTION MODULATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-12-12 — — WO disclosed
Send feedback