SCHEMBL7777015

SCHEMBL7777015

COCOc1cccc(CC=NO)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FYN P06241 1/20 0.38
CTBP2 P56545 1/20 0.38
MAOB P27338 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
GAA P10253 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL7776888 0.81 FFAR1 (0.44) FFAR1FYNMAOBKDM4EALDH1A1
SCHEMBL12042852 0.80 ALDH1A1 (0.45) FFAR1FYNMAOBKDM4EALDH1A1
SCHEMBL1135279 0.77 FYN (0.56) FFAR1FYNMAOBKDM4EALDH1A1
SCHEMBL14117318 0.75 KDM4E (0.56) FFAR1FYNMAOBKDM4EALDH1A1
SCHEMBL21116575 0.75 IDO1 (0.50) FFAR1MAOBKDM4EALDH1A1CYP4F2
SCHEMBL5211821 0.74 NOS1 (0.49) FFAR1MAOBKDM4EALDH1A1
SCHEMBL3912729 0.74 FFAR1 (0.46) FFAR1KDM4EALDH1A1
SCHEMBL1607526 0.74 MAOB (0.48) FFAR1MAOBKDM4EALDH1A1
SCHEMBL7323232 0.74 MAOB (0.43) FFAR1FYNMAOBKDM4EALDH1A1
SCHEMBL4401546 0.74 BCHE (0.44) FFAR1FYNMAOBKDM4EALDH1A1

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
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed