SCHEMBL7618229

SCHEMBL7618229

CCCCCOc1ccc(P(=O)(C(=O)c2c(C)cccc2C)c2ccc(OCCCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 3/20 0.46
NR1H4 Q96RI1 1/20 0.44
NR5A1 Q13285 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RARB P10826 3/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL7618250 0.96 FAAH (0.47) TP53TSHRPLA2G4BNR1H4LTA4H
SCHEMBL7624611 0.88 ITGB1 (0.55) TP53TSHRPLA2G4BNR5A1NPC1
SCHEMBL7622700 0.87 ITGB1 (0.53) TP53TSHRPLA2G4BNR1H4LTA4H
SCHEMBL7625207 0.86 TP53 (0.46) TP53TSHRPLA2G4BNR1H4NR5A1
SCHEMBL7617564 0.85 PPARA (0.48) TP53TSHRPLA2G4BNR1H4
SCHEMBL7618443 0.83 FAAH (0.46) TP53TSHRPLA2G4BNR1H4RARB
SCHEMBL7621064 0.82 PPARA (0.48) TP53TSHRPLA2G4BLMNALTA4H
SCHEMBL7623578 0.79 NPC1 (0.44) TP53TSHRNPC1LMNA
SCHEMBL15760403 0.78 TP53 (0.63) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL29715644 0.78 GGPS1 (0.46) PLA2G4BNR1H4

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
US-6486228-B2 BIS-ACYLPHOSPHINE OXIDES AND ACYLPHOSPHINE OXIDES FOR CURING PHOTOPOLYMERIZABLE COMPOSITIONS WITHOUT YELLOWING; USE IN WHITE SURFACE COATINGS, AS NEGATIVE PHOTORESISTS, IN PRINTING PLATES CIBA SPECIALTY CHEMICALS CORPORATION 2002-11-26 US disclosed
US-20010036978-A1 Photoinitiator combinations IGM GROUP B.V. (NL) 2001-11-01 US disclosed
US-6251963-B1 ORGAOPHOSPHOROUS COMPOUND CONTAINING KETONE GROUP CIBA SPECIALTY CHEMICALS CORPORATION 2001-06-26 US disclosed