SCHEMBL8465014

SCHEMBL8465014

CCCCCOc1cccc(C(=O)Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.68
KMT2A Q03164 1/20 0.65
PLA2G4B P0C869 3/20 0.63
THRB P10828 2/20 0.61
THRA P10827 1/20 0.61
NR1H4 Q96RI1 2/20 0.60
PLA2G2A P14555 1/20 0.54
TSHR P16473 1/20 0.54
PTPN11 Q06124 1/20 0.52
PRSS1 P07477 1/20 0.51

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
SCHEMBL9906433 0.98 SMPD1 (0.70) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL5204104 0.98 SMPD1 (0.70) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL15779400 0.98 SMPD1 (0.70) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL9305977 0.98 SMPD1 (0.70) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL11337002 0.98 SMPD1 (0.70) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL1331352 0.98 SMPD1 (0.70) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL5202638 0.95 KMT2A (0.62) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL5200730 0.90 KMT2A (0.73) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL11422303 0.90 PRSS1 (0.60) SMPD1KMT2APLA2G4BTHRBTHRA
SCHEMBL1329130 0.88 SMPD1 (0.57) SMPD1KMT2APLA2G4BTHRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 US disclosed
EP-0745595-A1 3-(3-Aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed