SCHEMBL29660692

SCHEMBL29660692

Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccc(OCC(C)C)cc2OCC(C)C)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 2/20 0.36
JUN P05412 2/20 0.36
XDH P47989 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H4 Q96RI1 3/20 0.34
SMPD1 P17405 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ACACB O00763 1/20 0.33
PDK2 Q15119 1/20 0.33
ABL1 P00519 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL4629642 1.00 FOS (0.36) FOSJUNXDHITGB1ITGA4
SCHEMBL4624717 0.87 MAPK1 (0.42) ITGB1ITGA4TP53GAAHTT
SCHEMBL29660657 0.87 MAPK1 (0.42) ITGB1ITGA4TP53GAAHTT
SCHEMBL29389044 0.83 ITGB1 (0.46) ITGB1ITGA4TP53
SCHEMBL444479 0.83 ITGB1 (0.46) ITGB1ITGA4TP53
SCHEMBL4711652 0.82 MAPT (0.41) FOSJUNXDHTP53MAPT
SCHEMBL150337 0.81 ITGB1 (0.49) ITGB1ITGA4TP53SMPD1
SCHEMBL4625116 0.80 FFAR4 (0.39) ITGB1ITGA4GAAMAPT
SCHEMBL29660588 0.80 FFAR4 (0.39) ITGB1ITGA4GAAMAPT
SCHEMBL4625245 0.80 ITGB1 (0.48) ITGB1ITGA4TP53SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 CN disclosed
CN-110114376-B Curable composition, method for producing cured product, cured product thereof, and adhesive using same 株式会社ADEKA 2022-06-14 CN disclosed