SCHEMBL30350651

SCHEMBL30350651

COc1ccc(COc2cc(C(=O)O)ccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 5/20 0.63
▸ KDM5A P29375 4/20 0.63
▸ KDM5B Q9UGL1 4/20 0.63
▸ RAB9A P51151 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ MRGPRX4 Q96LA9 3/20 0.57
▸ TP53 P04637 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ PLA2G4B P0C869 1/20 0.56
▸ PPARA Q07869 2/20 0.53
▸ ALKBH1 Q13686 1/20 0.50
▸ KDM2B Q8NHM5 3/20 0.49
▸ FFAR1 O14842 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1257063 1.00 KDM4C (0.63) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL12640029 0.89 NPC1 (0.51) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL12076388 0.87 RAB9A (0.68) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL19510738 0.84 MAOB (0.58) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL29505420 0.84 MAOB (0.58) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL837794 0.84 NR4A2 (0.58) KDM4CKDM5AKDM5BMRGPRX4ALKBH1
SCHEMBL26090193 0.80 KDM5A (0.49) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL30350652 0.79 RAB9A (0.68) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL1254744 0.79 RAB9A (0.68) KDM4CKDM5AKDM5BRAB9ASMN1; SMN2
SCHEMBL229446 0.78 KDM4C (0.57) KDM4CKDM5AKDM5BRAB9AALDH1A1

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-107567443-B Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-28 — — CN disclosed
CN-115925679-A Biaryl derivatives as GPR120 agonists 株式会社LG化学 2023-04-07 — — CN disclosed
Send feedback