SCHEMBL7764667

SCHEMBL7764667

CC(Cl)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.50
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HTR1D P28221 1/20 0.32
POLB P06746 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL45261 0.96 HMGCR (0.46) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL3683050 0.84 HMGCR (0.39) HMGCRTP53TSHR
SCHEMBL9879684 0.82 HMGCR (0.53) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL2332071 0.81 HTR2A (0.46) RXRARXRBRXRGTP53TSHR
SCHEMBL4445053 0.80 HTR2A (0.50) TP53TSHRHTR2AHTR2CHTR2B
SCHEMBL7764606 0.78 HMGCR (0.50) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL45291 0.78 PNMT (0.33) TP53POLBHTR2AHTR2BCYP2C19
SCHEMBL25774449 0.77 HMGCR (0.49) HMGCRGABRA1GABRB2TP53TSHR
SCHEMBL10015433 0.76 HMGCR (0.47) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL1652967 0.75 HMGCR (0.47) HMGCRGABRA1GABRB2RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5458796-A Synthesis of polyisobutylene star-branched polymers via living carbocationic polymerization SHELL OIL COMPANY (US) 1995-10-17 US claimed
EP-0675153-B1 Process for the preparation of star-shaped polymers SHELL INT RESEARCH (NL) 2001-06-13 EP disclosed
EP-1099717-A2 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-05-16 EP disclosed
US-5458796-A Synthesis of polyisobutylene star-branched polymers via living carbocationic polymerization SHELL OIL COMPANY (US) 1995-10-17 US disclosed
EP-0675153-A1 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-10-04 EP disclosed