SCHEMBL5099946

SCHEMBL5099946

CCCCCCCC(=O)c1ccc(OC)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ STAT6 P42226 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ HPGDS O60760 1/20 0.62
▸ THRA P10827 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ CNR2 P34972 6/20 0.55
▸ PLK1 P53350 1/20 0.52
▸ CNR1 P21554 2/20 0.51
▸ CDC25B P30305 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL14261559 0.82 PTPN11 (0.46) CYP2C9ALDH1A1CYP1A2CYP3A4STAT6
SCHEMBL27960080 0.82 CNR1 (0.55) CYP2C9ALDH1A1CYP1A2CYP3A4STAT6
SCHEMBL27703528 0.82 HDAC8 (0.71) ALDH1A1CYP3A4THRATHRBCNR2
SCHEMBL5100574 0.82 CNR2 (0.49) CYP2C9ALDH1A1CYP1A2CYP3A4STAT6
SCHEMBL5100579 0.82 CNR2 (0.49) CYP2C9ALDH1A1CYP1A2CYP3A4STAT6
SCHEMBL4097579 0.82 HPGDS (0.73) CYP2C9ALDH1A1CYP1A2CYP3A4STAT6
Menbutone SCHEMBL1641812 0.81 CYP2C9 (0.69) CYP2C9ALDH1A1CYP1A2CYP3A4STAT6
Menbutone SCHEMBL30277792 0.81 CYP2C9 (0.69) CYP2C9ALDH1A1CYP1A2CYP3A4STAT6
SCHEMBL6402837 0.81 EP300 (0.59) ALDH1A1THRATHRBMAPTKMT2A
SCHEMBL151368 0.80 HDAC8 (0.68) ALDH1A1CYP3A4CNR2CNR1HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381842-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-03 — — US disclosed
US-6949678-B2 Oxime ester photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2005-09-27 — — US disclosed
US-20050191567-A1 Oxime ester photoinitiators KUNIMOTO KAZUHIKO (JP) 2005-09-01 — — US disclosed
US-20010012596-A1 For resist applications; thermostability, storage stability CIBA SPECIALTY CHEMICALS CORP. 2001-08-09 — — US disclosed
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