SCHEMBL29454681

SCHEMBL29454681

O=C(Cl)C[C@H](c1cccc(OCc2ccccc2)c1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 12/20 0.56
FFAR2 O15552 1/20 0.51
NR4A2 P43354 1/20 0.48
ALOX5 P09917 1/20 0.47
MAOB P27338 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
SCHEMBL20103403 0.90 FFAR1 (0.66) KMT2ASMN1; SMN2FFAR1FFAR2
SCHEMBL21644908 0.90 FFAR1 (0.66) KMT2ASMN1; SMN2FFAR1FFAR2
SCHEMBL29454542 0.90 FFAR1 (0.66) KMT2ASMN1; SMN2FFAR1FFAR2
SCHEMBL20103492 0.88 KMT2A (0.59) KMT2ASMN1; SMN2FFAR1FFAR2NR4A2
SCHEMBL21644966 0.88 KMT2A (0.59) KMT2ASMN1; SMN2FFAR1FFAR2NR4A2
SCHEMBL21644935 0.86 FFAR1 (0.59) KMT2ASMN1; SMN2FFAR1FFAR2ALOX5
SCHEMBL20103667 0.86 FFAR1 (0.59) KMT2ASMN1; SMN2FFAR1FFAR2ALOX5
SCHEMBL29454565 0.86 FFAR1 (0.59) KMT2ASMN1; SMN2FFAR1FFAR2ALOX5
SCHEMBL22717572 0.84 FFAR1 (0.53) KMT2ASMN1; SMN2FFAR1NR4A2ALOX5
SCHEMBL30211110 0.84 FFAR1 (0.53) KMT2ASMN1; SMN2FFAR1NR4A2ALOX5

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-3976576-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2022-04-06 EP disclosed