SCHEMBL7462934

SCHEMBL7462934

CC(C)c1nccn1-c1nc(-c2ccc(Cl)cc2)c(C(C)C(=O)O)o1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM5B Q9UGL1 1/20 0.34
MAPK14 Q16539 1/20 0.33
FPR2 P25090 1/20 0.33
KMO O15229 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CNR1 P21554 5/20 0.33
AGTR2 P50052 2/20 0.33
GRIA1 P42261 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6606357 0.88 MAOA (0.39) MAOAADRA1AKDM5BKMOS1PR1
SCHEMBL7468230 0.85 MAOA (0.37) MAOAADRA1ACYP2C19
SCHEMBL7453586 0.85 MAPT (0.38) MAOAADRA1AKMOS1PR1S1PR3
SCHEMBL7462804 0.84 AKR1B10 (0.36) MAOAADRA1AS1PR1S1PR3S1PR5
SCHEMBL7462922 0.81 RXRA (0.42) FPR2TSHRSMN1; SMN2
SCHEMBL7463542 0.80 MAOA (0.39) MAOAADRA1AKDM5BKMOS1PR1
SCHEMBL7462680 0.79 MAP4K4 (0.36) MAOAADRA1AKDM5BCNR1GRIA1
SCHEMBL7464622 0.78 MAOA (0.39) MAOAADRA1ACNR1CYP2D6SMN1; SMN2
SCHEMBL7468394 0.78 MAOA (0.42) MAOAADRA1AKDM5BCNR1SMN1; SMN2
SCHEMBL5213391 0.77 KMT2A (0.40) MAOAADRA1A

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-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed