SCHEMBL28825834

SCHEMBL28825834

CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)c1.O=P(O)(O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.48
RXRA P19793 7/20 0.48
RXRG P48443 3/20 0.47
PTPN5 P54829 5/20 0.43
PTPN1 P18031 1/20 0.43
EGFR P00533 1/20 0.42
HDAC4 P56524 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
Biphenyl SCHEMBL28050797 0.83 CYP1A2 (0.50) PTPN5HDAC4HDAC2HDAC8CYP1A2
SCHEMBL28050809 0.80 HDAC8 (0.53) PTPN5PTPN1HDAC4HDAC2HDAC8
SCHEMBL11646120 0.78 RXRB (0.59) RXRBRXRARXRGEGFRKDM4E
SCHEMBL27757672 0.76 RXRB (0.62) RXRBRXRARXRGEGFR
SCHEMBL30096028 0.76 RXRB (0.57) RXRBRXRARXRGEGFRKDM4E
SCHEMBL1227487 0.76 CYP3A4 (0.52) EGFRCYP1A2CYP3A4CYP2C9CYP2C19
Phenyl Dihydrogen Phosphate SCHEMBL28825833 0.76 SRC (0.58) RXRBRXRARXRGPTPN5PTPN1
SCHEMBL5546207 0.74 RXRB (0.53) RXRBRXRARXRGEGFR
SCHEMBL26149393 0.74 RXRB (0.53) RXRBRXRARXRGEGFR
SCHEMBL11350253 0.74 CYP3A4 (0.50) EGFRCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175596-A Method for catalyzing copolymerization of ethylene and norbornene UNIV TIANJIN 2015-12-23 CN disclosed