SCHEMBL4411077

SCHEMBL4411077

C=CC(=O)Oc1c(C(C)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)CC)cc1C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRA P19793 6/20 0.35
PPARG P37231 6/20 0.35
RARG P13631 5/20 0.35
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL13356407 0.98 RXRA (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30912101 0.95 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13256699 0.95 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL16280978 0.94 RXRA (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29464292 0.94 RXRA (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29353638 0.94 RXRA (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL237192 0.94 RXRA (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11987169 0.91 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL14125269 0.91 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11987166 0.90 RXRA (0.35) RXRAPPARGRARGRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113661207-A Styrene resin composition, molded article, and light guide plate 电化株式会社 2021-11-16 CN disclosed
US-20090317573-A1 Oxygen absorbent, oxygen-absoring film and packaging container ZEON CORPORATION (JP) 2009-12-24 US disclosed