SCHEMBL9565396

SCHEMBL9565396

COCCOc1cccc(C(=O)NC(C)(C)CO)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMPD1 P17405 4/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
MAP4K4 O95819 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NR1H4 Q96RI1 3/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL6301076 0.86 NPC1 (0.57) NPC1RAB9AATMSMN1; SMN2ALDH1A1
SCHEMBL27939013 0.83 LMNA (0.49) LMNASMPD1NPC1RAB9AATM
SCHEMBL2089751 0.82 SMPD1 (0.66) SMPD1SMN1; SMN2KMT2AMEN1NR1H4
SCHEMBL2759010 0.81 NPC1 (0.61) LMNANPC1RAB9AATMMAP4K4
SCHEMBL4017067 0.80 SMPD1 (0.56) LMNASMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL30099037 0.80 SMPD1 (0.56) LMNASMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL385706 0.79 RAB9A (0.59) SMPD1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28294885 0.78 L3MBTL1 (0.57) LMNASMPD1MAPTALDH1A1KDM4E
SCHEMBL12066298 0.77 NPC1 (0.57) LMNANPC1RAB9AATMMAP4K4
SCHEMBL1665037 0.77 KMT2A (0.55) LMNASMPD1ALDH1A1KDM4EL3MBTL1

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-0560483-A1 4 Benzopyl isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-09-15 EP disclosed