SCHEMBL21268231

SCHEMBL21268231

CC(C)COc1c[c]cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 4/20 0.49
▸ XDH P47989 3/20 0.44
▸ RARA P10276 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ GCK P35557 1/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ KAT6A Q92794 1/20 0.40
▸ FABP1 P07148 1/20 0.40
▸ FOS P01100 2/20 0.40
▸ JUN P05412 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ PLA2G2A P14555 1/20 0.38

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
SCHEMBL16961985 0.85 SIRT2 (0.41) NR1H4KAT6AFOSJUNPOLB
SCHEMBL17046354 0.84 XDH (0.46) NR1H4XDHRARARARBRARG
SCHEMBL4276418 0.82 PLA2G2A (0.54) NR1H4XDHRARARARBRARG
SCHEMBL17060023 0.82 NR1H4 (0.54) NR1H4XDHRARARARBRARG
SCHEMBL4316367 0.81 PLA2G4B (0.49) NR1H4POLBMAPTRXRARXRB
SCHEMBL4326569 0.79 KMT2A (0.55) XDHRARARARBRARGGCK
SCHEMBL4316500 0.77 CA1 (0.50) POLBRXRA
SCHEMBL931583 0.77 NR1H4 (0.75) NR1H4KAT6AFABP1FOSJUN
SCHEMBL21268367 0.77 PLA2G2A (0.61) NR1H4RARBPLA2G2A
SCHEMBL27584673 0.77 TPMT (0.52) NR1H4XDHRARARARBRARG

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-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 — — EP disclosed
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