SCHEMBL1720320

SCHEMBL1720320

CC(C)(C)c1[c]c(CCc2[c]c(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
POLB P06746 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1291247 0.87 GABRA1 (0.34) HTR1DGABRA1GABRB2POLBCYP2C19
SCHEMBL27369343 0.85 GABRA1 (0.33) HTR1DGABRA1GABRB2POLB
SCHEMBL27341965 0.83 HTR1D (0.38) HTR1DGABRA1GABRB2POLB
SCHEMBL150439 0.81 GABRA1 (0.43) HTR1DGABRA1GABRB2POLBRXRA
SCHEMBL8673176 0.79
SCHEMBL3121979 0.75 GABRA1 (0.39) HTR1DGABRA1GABRB2POLB
SCHEMBL248234 0.73 POLB (0.39) HTR1DGABRA1GABRB2POLB
SCHEMBL4447787 0.72 GABRA1 (0.33) GABRA1GABRB2POLB
SCHEMBL6567365 0.72 SHBG (0.37)
SCHEMBL14672767 0.71 HSPA5 (0.45) GABRA1GABRB2POLBCYP2C19

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-1310492-B1 Phenyl ether-substituted hydroxyphenyl triazine ultraviolet light absorbers CYTEC TECH CORP (US) 2012-01-11 EP claimed
EP-0358985-A1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1990-03-21 EP disclosed
EP-0353598-A2 Transhalogenation of halophosphorus compounds ETHYL CORPORATION (US) 1990-02-07 EP disclosed