SCHEMBL7645181

SCHEMBL7645181

Cc1cccc(OC(=O)O)c1C(C)(C)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.35
MEN1 O00255 2/20 0.34
ESR1 P03372 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR2 Q92731 2/20 0.34
GAA P10253 1/20 0.34
POLB P06746 2/20 0.33
CASP1 P29466 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7648071 0.85 ATM (0.36) GAAPOLBRXRARXRBRXRG
SCHEMBL7650978 0.82 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19SMN1; SMN2PTPN1
SCHEMBL7645179 0.80 CNR1 (0.42) MEN1KMT2AGAAKDM4E
SCHEMBL7647735 0.77 CHRM2 (0.39) CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1
SCHEMBL29598836 0.76 TDP1 (0.45) SMN1; SMN2MEN1ESR1KMT2AGAA
SCHEMBL7648066 0.74 ATM (0.34) SMN1; SMN2GAAPOLBRXRARXRB
SCHEMBL5588539 0.73 ALDH1A1 (0.52) CYP2C9SMN1; SMN2PTPN1MEN1ESR1
SCHEMBL679143 0.72 TRPA1 (0.48) CYP1A2CYP2C19SMN1; SMN2MEN1ESR1
SCHEMBL29597345 0.72 TRPA1 (0.48) CYP1A2CYP2C19SMN1; SMN2MEN1ESR1
SCHEMBL24496175 0.72 PTPN1 (0.47) CYP1A2CYP2C9PTPN1ESR1KDM4E

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
US-6476249-B1 Copolycarbonate and process for producing the same IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1035150-A1 COPOLYCARBONATE AND PROCESS FOR PRODUCING THE SAME IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed