SCHEMBL16961342

SCHEMBL16961342

C=C[C](C)c1cc(OCC)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ MAOB P27338 3/20 0.39
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL16951650 0.87 EPHX2 (0.35) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL16955026 0.84 KMT2A (0.41) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL16962676 0.83 RXRA (0.48) RXRARXRBRXRGMAOBCYP1A1
SCHEMBL16962628 0.81 CES2 (0.48) RXRARXRBRXRGMAPTNOTUM
SCHEMBL16954109 0.80 KAT6A (0.41) MAOBALDH1A1MEN1KMT2APOLB
SCHEMBL16955924 0.79 RXRA (0.45) RXRARXRBRXRGMAOBCYP1A1
SCHEMBL16961574 0.78 KAT6A (0.40) MAOBALDH1A1MEN1KMT2ABRD4
SCHEMBL16955778 0.78 MAOB (0.35) MAOBALDH1A1MEN1KMT2APOLB
SCHEMBL16959315 0.78 ESR1 (0.45) MAOBALDH1A1MEN1KMT2ABRD4
SCHEMBL16958887 0.77 NOTUM (0.36) RXRARXRBRXRGMAOBALDH1A1

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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