SCHEMBL29601094

SCHEMBL29601094

CC(C)(c1ccccc1)c1cccc(OC(=O)O)c1C(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 6/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNN4 O15554 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ELANE P08246 2/20 0.35
GAA P10253 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ALOX15 P16050 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL247100 1.00 TDP1 (0.40) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL247099 0.91 TDP1 (0.40) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL1157238 0.88 TDP1 (0.37) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL1673996 0.87 TDP1 (0.47) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL245087 0.85 ATM (0.37) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL27488778 0.85 TDP1 (0.37) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL27819527 0.85 ATM (0.37) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL1870707 0.85 ATM (0.37) TDP1ATMALDH1A1ESR1CYP3A4
SCHEMBL7647735 0.84 CHRM2 (0.39) ALDH1A1ESR1CYP3A4ESR2MAPT
SCHEMBL1681408 0.84 KDM4E (0.45) TDP1ATMALDH1A1KMT2AKDM4E

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
EP-3174935-B1 COPOLYCARBONATE COMPOUNDS WITH CYCLIC AND LINEAR OLIGOMERS AND IMPROVED OPTICAL PROPERTIES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-21 EP disclosed
EP-3174934-B1 COPOLYCARBONATE COMPOUNDS WITH CYCLIC AND LINEAR OLIGOMERS AND IMPROVED RHEOLOGICAL PROPERTIES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-14 EP disclosed
EP-3227374-B1 COPOLYCARBONATE COMPOUNDS WITH IMPROVED RHEOLOGICAL AND OPTICAL PROPERTIES CONTAINING DIGLYCEROLESTER COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-06-01 EP disclosed