SCHEMBL8903140

SCHEMBL8903140

COCOc1c(C(C)(C)C)cc(C(=O)O)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.40
EGFR P00533 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
PKM P14618 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 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
SCHEMBL4731276 0.87 ESRRA (0.38) TNFRSF1AEGFRRARARARBRARG
SCHEMBL9179855 0.86 RARG (0.41) TNFRSF1ARXRARXRBRXRGRARA
SCHEMBL7987373 0.85 TNFRSF1A (0.37) TNFRSF1AEGFRRXRARXRBRXRG
SCHEMBL8779698 0.85 EGFR (0.48) TNFRSF1AEGFRCA12CA1CA2
SCHEMBL9162907 0.85 TSHR (0.42) TNFRSF1AEGFR
SCHEMBL9623299 0.84 PLAU (0.45) TNFRSF1ARXRARXRBRXRGRARA
SCHEMBL7792646 0.83 TSHR (0.42) TNFRSF1ARXRARXRBRXRGRARG
SCHEMBL4783649 0.81 VCAM1 (0.39) TNFRSF1AEGFRPTGS2
SCHEMBL3637333 0.80 TNFRSF1A (0.56) TNFRSF1ARARARARBRARGEPHX2
SCHEMBL8807107 0.79 ALDH1A1 (0.39) EGFRCA1CA2

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
US-5602140-A CAUSED BY LEUKOCYTES JAPAN ENERGY CORPORATION (JP) 1997-02-11 US disclosed
EP-0675124-A2 Purine derivatives and suppressants for inflammatory diseases JAPAN ENERGY CORPORATION (JP) 1995-10-04 EP disclosed