SCHEMBL22748657

SCHEMBL22748657

CCCCCCCCCCC(C)(C)CCn1ccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.46
CNR1 P21554 1/20 0.43
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RARB P10826 7/20 0.38
PLA2G4B P0C869 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RARA P10276 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL22748674 1.00 PLA2G4A (0.46) PLA2G4ACNR1TP53TSHRRARB
SCHEMBL22748568 0.88 PLA2G4A (0.47) PLA2G4ACNR1TP53TSHRRARB
SCHEMBL22748606 0.88 PLA2G4A (0.47) PLA2G4ACNR1TP53TSHRRARB
SCHEMBL22748632 0.88 PLA2G4A (0.47) PLA2G4ACNR1TP53TSHRRARB
SCHEMBL22748990 0.88 PLA2G4A (0.47) PLA2G4ACNR1TP53TSHRRARB
SCHEMBL22748589 0.86 CNR1 (0.40) PLA2G4ACNR1TP53TSHRMEN1
SCHEMBL22748673 0.86 CNR1 (0.40) PLA2G4ACNR1TP53TSHRMEN1
SCHEMBL22291138 0.84 CNR1 (0.56) PLA2G4ACNR1TP53TSHRRARB
SCHEMBL21413172 0.84 CNR1 (0.56) PLA2G4ACNR1TP53TSHRRARB
SCHEMBL9150323 0.84 CNR1 (0.56) PLA2G4ACNR1TP53TSHRRARB

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-2020245291-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed