SCHEMBL29252907

SCHEMBL29252907

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.OP(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.55
GABRB2 P47870 1/20 0.55
RXRB P28702 7/20 0.52
RXRA P19793 6/20 0.52
RXRG P48443 3/20 0.52
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
CNR1 P21554 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36
CYP2C19 P33261 2/20 0.35

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
SCHEMBL29252866 1.00 GABRA1 (0.55) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL4572745 0.88 GABRA1 (0.58) GABRA1GABRB2RXRBRXRARXRG
Pentane SCHEMBL15574379 0.87 RXRB (0.43) GABRA1GABRB2RXRBRXRARXRG
Pentane SCHEMBL8678548 0.87 RXRB (0.43) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL26230931 0.85 GABRA1 (0.55) GABRA1GABRB2RXRBRXRARXRG
Methyl Alcohol SCHEMBL21467316 0.82 GABRA1 (0.52) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL27346286 0.81 GABRA1 (0.52) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL28946872 0.81 GABRA1 (0.52) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL4526927 0.80 RXRB (0.65) GABRA1GABRB2RXRBRXRARXRG
SCHEMBL414084 0.80 RXRB (0.65) GABRA1GABRB2RXRBRXRARXRG

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-114685762-B Preparation method of hydrophobic bisphosphite organic polymer 陕西延长石油(集团)有限责任公司 2023-09-05 CN disclosed