SCHEMBL7946652

SCHEMBL7946652

Cc1ccccc1C(=O)OC1CCCCC1.Cc1ccccc1C(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.48
SCN2A Q99250 3/20 0.48
SCN3A Q9NY46 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL9002104 0.90 HSD17B10 (0.51) SCN1ASCN2ASCN3AKMT2AMEN1
SCHEMBL28255392 0.90 HSD17B10 (0.51) SCN1ASCN2ASCN3AKMT2AMEN1
SCHEMBL6057170 0.90 NPC1 (0.54) SCN1ASCN2ASCN3AKMT2AMEN1
SCHEMBL30410538 0.85 ATM (0.53) SCN1ASCN2ASCN3AKMT2AMEN1
SCHEMBL27929943 0.82 SCN1A (0.50) SCN1ASCN2ASCN3AKMT2AMEN1
SCHEMBL1254116 0.82 KMT2A (0.64) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL9002443 0.80 NSD2 (0.51) KMT2AMEN1MAPTLMNANPC1
SCHEMBL9002156 0.80 NSD2 (0.51) KMT2AMEN1MAPTLMNANPC1
Methyl Alcohol SCHEMBL17065506 0.79 STS (0.55) SCN1ASCN2ASCN3AKMT2AMEN1
SCHEMBL10707097 0.79 MEN1 (0.57) SCN1ASCN2ASCN3AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001051528-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed