SCHEMBL30744775

SCHEMBL30744775

O=C(O)c1cc(OCC2CC2)c2ccc(F)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.46
TTR P02766 7/20 0.46
KMO O15229 2/20 0.43
ALOX15 P16050 1/20 0.43
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
HTR4 Q13639 1/20 0.42
PDE4B Q07343 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL5092018 0.85 XDH (0.47) RBP4TTRXDH
SCHEMBL20515876 0.84 ALOX15 (0.61) RBP4TTRKMOALOX15XDH
SCHEMBL30438176 0.84 ALOX15 (0.61) RBP4TTRKMOALOX15XDH
SCHEMBL30744772 0.83 ALOX15 (0.49) ALOX15
SCHEMBL9379799 0.83 PKM (0.50) ALOX15
SCHEMBL5703892 0.78 RBP4 (0.41) RBP4TTRKDM5AKDM4CXDH
SCHEMBL5097600 0.74 ALOX15 (0.42) RBP4TTRALOX15
SCHEMBL4620763 0.74 PDE10A (0.52) ALOX15
SCHEMBL30744837 0.73 ALOX15 (0.57) RBP4TTRALOX15
SCHEMBL4620342 0.73 ALOX15 (0.43) ALOX15

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
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed