SCHEMBL9381963

SCHEMBL9381963

Cc1ccc(O)c(C(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MCL1 Q07820 3/20 0.46
CYP3A4 P08684 2/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CSNK2A1 P68400 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL18329485 0.85 MEN1 (0.45) CYP3A4ACHEMEN1KMT2AKDM4E
SCHEMBL8124185 0.83 SRD5A2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL24445654 0.83 THRB (0.50) CA12CA1CA2CA7CA9
SCHEMBL1495242 0.83 CYP3A4 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1018937 0.81 MEN1 (0.42) CYP3A4ACHEMEN1KMT2ASMN1; SMN2
SCHEMBL17926378 0.80 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL8507372 0.79 HPGD (0.43) MCL1CYP3A4MEN1KMT2AKDM4E
SCHEMBL24680130 0.79 FABP3 (0.44) MEN1KMT2ASMN1; SMN2MAPK1METAP2
SCHEMBL30933127 0.78 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL3738298 0.78 CA12 (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409484-B1 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER (US) 1994-06-08 EP disclosed
US-5071863-A Antiallergens; antiinflammatory agents; enzyme inhibitors PFIZER INC. (US) 1991-12-10 US disclosed
EP-0409484-A2 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER INC. (US) 1991-01-23 EP disclosed