SCHEMBL7942593

SCHEMBL7942593

CN(CCO)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.55
CYP2C19 P33261 5/20 0.55
CYP2D6 P10635 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2C9 P11712 4/20 0.55
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 4/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSPA5 P11021 2/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6053413 0.92 HIF1A (0.59) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL7940340 0.91 HIF1A (0.52) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL9194409 0.91 CYP2C19 (0.66) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL7933627 0.90 HIF1A (0.51) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL6053460 0.89 HIF1A (0.56) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL22468666 0.89 CYP2C19 (0.68) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL1361131 0.88 CYP2C19 (0.58) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL29641521 0.87 CYP2C19 (0.66) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL8407909 0.86 HTT (0.62) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9
Potassium SCHEMBL30309049 0.86 CYP2C19 (0.64) HIF1ACYP2C19CYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed