SCHEMBL16955876

SCHEMBL16955876

COc1cc([C](C)CO)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ NQO2 P16083 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL16954338 0.83 EPHX2 (0.37) ALDH1A1LMNAMEN1EPHX2KMT2A
SCHEMBL16952485 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1KDM4EGAANQO2
SCHEMBL16955754 0.83 GABRA1 (0.46) ALOX15MAPK1HSD17B10TDP1KDM4E
SCHEMBL16958847 0.82 CYP4F2 (0.40) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL16959449 0.82 CA1 (0.44) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL16957459 0.80 KAT6A (0.33) MAPTNR1H4F2R
SCHEMBL1189363 0.79 MAPT (0.45) CA1CA2ALDH1A1LMNAALOX15
SCHEMBL16953671 0.77 CYP3A4 (0.38) ALDH1A1KDM4EGAAMAPTTP53
SCHEMBL16958822 0.77 RXRA (0.40) CA2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4729201 0.75 RXRA (0.47) CA1CA2ALDH1A1LMNAALOX15

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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