SCHEMBL7764606

SCHEMBL7764606

CC(O)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.50
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.33
NOS2 P35228 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6157363 0.96 HMGCR (0.46) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL10015433 0.84 HMGCR (0.47) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL20182218 0.83 HMGCR (0.47) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL9879684 0.82 HMGCR (0.53) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL17831295 0.81 HTR2A (0.46) RXRARXRBRXRG
SCHEMBL17831296 0.81 HTR2A (0.46) RXRARXRBRXRG
SCHEMBL1652967 0.79 HMGCR (0.47) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL7764667 0.78 HMGCR (0.50) HMGCRGABRA1GABRB2RXRARXRB
SCHEMBL8679307 0.78 TSHR (0.58) TP53TSHR
SCHEMBL18253225 0.78 TSHR (0.58) TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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