SCHEMBL7737494

SCHEMBL7737494

C=C(C)C(=O)OC(C)Cc1cc(Cc2cc(CC(C)OC(=O)C(=C)C)cc(-n3nc4ccc(Cl)cc4n3)c2O)c(O)c(-n2nc3ccc(Cl)cc3n2)c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CASP3 P42574 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP7 Q9BQF6 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
SCHEMBL7739367 0.90 MCL1 (0.32) NPC1RAB9AKDM4EALDH1A1CASP3
SCHEMBL7729398 0.89 NPC1 (0.36) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL7736905 0.83 NPC1 (0.32) NPC1RAB9ARXFP1TP53MAPT
SCHEMBL7736862 0.81 TLR8 (0.33) NPC1RAB9ARXFP1TP53MAPT
SCHEMBL7568491 0.81 NPC1 (0.37) NPC1RAB9ARXFP1TP53MAPT
SCHEMBL7737484 0.81 POLB (0.33) NPC1RAB9ARXFP1
SCHEMBL28908795 0.79 TLR8 (0.31)
SCHEMBL7030783 0.77 NPC1 (0.42) NPC1RAB9ATP53MAPTKDM4E
SCHEMBL7736252 0.76 NPC1 (0.36) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL20694832 0.76 BACE1 (0.30)

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
US-6414100-B1 COMPOUND HAVING EXTREMELY LOW VAPOR PRESSURE AND HIGH DECOMPOSITION TEMPERATURE; CROSSLINKING AGENT FOR WEATHER RESISTANT POLYMERS OTSUKA CHEMICAL CO., LTD. (JP) 2002-07-02 US disclosed
EP-1055669-A1 BISBENZOTRIAZOLYLPHENOL COMPOUNDS, ULTRAVIOLET ABSORBER, ULTRAVIOLET-ABSORBING POLYMER, AND RESIN COMPOSITION AND COATING MATERIAL BOTH CONTAINING THESE OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2000-11-29 EP disclosed