SCHEMBL9016835

SCHEMBL9016835

C=C(O)Cc1cccc(C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.61
MRGPRX4 Q96LA9 3/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
ANPEP P15144 1/20 0.50
ENPEP Q07075 1/20 0.50
MEP1B Q16820 1/20 0.49
KMT2A Q03164 1/20 0.49
NR4A2 P43354 1/20 0.49

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
SCHEMBL13381340 0.85 FOLH1 (0.58) FOLH1MRGPRX4TP53NFKB1RAB9A
SCHEMBL29382329 0.84 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL2707508 0.84 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL18095084 0.82 FOLH1 (0.63) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL25031685 0.82 FOLH1 (0.42) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL13381244 0.81 FOLH1 (0.53) FOLH1MRGPRX4RAB9ASMN1; SMN2CYP2D6
SCHEMBL4234448 0.81 FOLH1 (0.61) FOLH1MRGPRX4CYP2D6CYP2C9HIF1A
SCHEMBL13381372 0.81 SRD5A2 (0.62) FOLH1RAB9AHIF1AANPEPENPEP
SCHEMBL5856499 0.81 FOLH1 (0.61) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL1310185 0.81 FOLH1 (0.61) FOLH1MRGPRX4TP53PKMNFKB1

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-0748830-A2 Modified epoxy resins SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-12-18 EP claimed