SCHEMBL3862769

SCHEMBL3862769

CC(C)=[Ti](F)Oc1cc(C)cc(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PTPN1 P18031 1/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 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
Hydrochloric Acid SCHEMBL722139 0.98 RXRA (0.33) RXRARXRBGABRA1GABRB2PTPN1
Hydrochloric Acid SCHEMBL719894 0.81 CA1 (0.38) GABRA1GABRB2PTPN1ALDH1A1CA2
Hydrochloric Acid SCHEMBL722896 0.81 ALDH1A1 (0.39) PTPN1POLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3800710 0.81 TACR1 (0.32) RXRARXRBPOLB
Hydrochloric Acid SCHEMBL721520 0.80 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL28743496 0.79 RXRA (0.33) RXRARXRBGABRA1GABRB2POLB
SCHEMBL2013224 0.78 CYP3A4 (0.43) RXRARXRBPOLBALDH1A1
Hydrochloric Acid SCHEMBL723999 0.77 RXRA (0.38) RXRARXRBPOLB
Hydrochloric Acid SCHEMBL725110 0.77 POLB (0.35) RXRARXRBPOLB
Hydrochloric Acid SCHEMBL722226 0.77 CYP3A4 (0.42) RXRARXRBPOLB

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
EP-1113025-B1 Catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2009-09-02 EP disclosed