SCHEMBL27802407

SCHEMBL27802407

CCCCCCCCCCCCOC(=O)c1cccc(N)c1C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
HSD17B10 Q99714 4/20 0.71
KDM4E B2RXH2 2/20 0.71
POLB P06746 1/20 0.71
TSHR P16473 5/20 0.63
LMNA P02545 3/20 0.63
CYP3A4 P08684 3/20 0.61
MAPK1 P28482 3/20 0.61
TP53 P04637 2/20 0.61
L3MBTL1 Q9Y468 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PPARA Q07869 1/20 0.48
GPR35 Q9HC97 1/20 0.48
MMP2 P08253 1/20 0.47

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
SCHEMBL27834285 0.88 ALDH1A1 (0.76) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL28603172 0.86 ALDH1A1 (0.62) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL27676643 0.86 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL994988 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10KDM4EPOLBTSHR
Benzophenone SCHEMBL27409790 0.85 ALDH1A1 (0.82) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL818473 0.84 ALDH1A1 (0.79) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL1790206 0.84 ALDH1A1 (0.79) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL820186 0.84 ALDH1A1 (0.79) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL10482944 0.84 ALDH1A1 (0.79) ALDH1A1HSD17B10KDM4EPOLBTSHR
SCHEMBL7539024 0.84 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EPOLBTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101668835-A Hydraulic working oil and hydraulic device IDEMITSU KOSAN CO 2010-03-10 CN disclosed