SCHEMBL16954338

SCHEMBL16954338

CCOc1cc([C](C)CO)cc(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ F2R P25116 5/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NQO1 P15559 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NR4A1 P22736 1/20 0.31
▸ NR4A2 P43354 1/20 0.31
▸ NR4A3 Q92570 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HMGCR P04035 1/20 0.31

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
SCHEMBL16955924 0.86 RXRA (0.45) KMT2AMEN1RXRARXRBRXRG
SCHEMBL16959409 0.85 EPHX2 (0.39) EPHX2NR1H4F2RKMT2AMEN1
SCHEMBL16961715 0.84 KMT2A (0.43) KMT2AMEN1NQO1BRD4BRD2
SCHEMBL16955876 0.83 CA1 (0.39) EPHX2NR1H4F2RKMT2AMEN1
SCHEMBL16957459 0.83 KAT6A (0.33) NR1H4F2R
SCHEMBL1190221 0.82 CREBBP (0.47) EPHX2NR1H4F2RKMT2AMEN1
SCHEMBL16955754 0.80 GABRA1 (0.46) KMT2AMEN1RXRARXRBRXRG
SCHEMBL16958847 0.79 CYP4F2 (0.40) KMT2AMEN1RXRARXRBRXRG
SCHEMBL25468623 0.78 NQO1 (0.46) EPHX2NR1H4KMT2AMEN1NQO1
SCHEMBL278323 0.78 NQO1 (0.46) EPHX2NR1H4KMT2AMEN1NQO1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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