SCHEMBL26633968

SCHEMBL26633968

COc1cnc2cc(/C=C/C(=O)O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 7/20 0.54
SNCA P37840 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
PKM P14618 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CA9 Q16790 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54

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
SCHEMBL30634286 0.83 MAOB (0.58) KDM4ECA12CA1CA2CA7
SCHEMBL26791067 0.83 MAOB (0.58) KDM4ECA12CA1CA2CA7
SCHEMBL26634020 0.83 RAB9A (0.55) THRBATMKDM4ESNCACA12
SCHEMBL1480905 0.81 THRB (0.74) THRBATMKDM4ESNCACA12
SCHEMBL1480903 0.81 THRB (0.74) THRBATMKDM4ESNCACA12
SCHEMBL26633998 0.80 RAB9A (0.55) THRBKDM4ECA12CA1CA2
SCHEMBL26634063 0.80 RHOA (0.56) THRBATMKDM4ESNCACA12
SCHEMBL26634030 0.80 RHOA (0.56) THRBATMKDM4ESNCACA12
SCHEMBL26634047 0.76 RAB9A (0.51) THRBKDM4ECA12CA1CA2
SCHEMBL26634026 0.76 KDM4E (0.54) THRBATMKDM4ESNCACA12

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-2023212565-A2 MOLECULAR EDITING OF MULTIPLE C-H BONDS BY LEVERAGING RECOGNITION OF DISTANCE, GEOMETRY AND CHIRALITY THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-02 WO disclosed