SCHEMBL29150409

SCHEMBL29150409

CCc1cc(C)c(C)c(OP(=O)(Oc2cc(CC)cc(C)c2C)c2ccc(-c3ccc(P(=O)(Oc4cc(CC)cc(C)c4C)Oc4cc(CC)cc(C)c4C)cc3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL30663200 0.82 RXRA (0.33) RXRARXRBPOLBMEN1KMT2A
SCHEMBL29150413 0.71 MAPT (0.40) MAPT
SCHEMBL12560288 0.68 PTGS2 (0.59) PTGS2MAPTMEN1KMT2A
SCHEMBL824488 0.66 CYP1A2 (0.35) CYP2C19
SCHEMBL599609 0.64 RAPGEF4 (0.41) RXRARXRBPOLBPTGS2MAPT
SCHEMBL3896656 0.64 CYP2C19 (0.53) POLBMAPTMEN1KMT2ACYP2C19
SCHEMBL12638762 0.63
SCHEMBL29150411 0.63 NCEH1 (0.32)
SCHEMBL9407115 0.62 TDP1 (0.45) POLBMEN1KMT2A
SCHEMBL824472 0.62 CYP1A2 (0.40) POLBMAPTMEN1KMT2ACYP2C19

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-117255830-A Resin composition and molded article 菱环球聚甲醛株式会社 2023-12-19 CN disclosed