SCHEMBL11697335

SCHEMBL11697335

CCCCC(CC)COCCCNc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
CYP3A4 P08684 4/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38

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
SCHEMBL4949096 0.80 CYP3A4 (0.52) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL14028567 0.80 CYP3A4 (0.47) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL1170830 0.79 ALDH1A1 (0.49) PPARGCYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL11698485 0.79 ALDH1A1 (0.46) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL10489352 0.77 ALDH1A1 (0.60) PPARGCYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL14046454 0.77 MMP9 (0.48) CYP3A4MMP9MMP8MMP14ALDH1A1
SCHEMBL11696225 0.77 PPARG (0.55) PPARGCYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL8589161 0.76 EPHX1 (0.60) PPARGCYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL11697331 0.76 ALDH1A1 (0.41) PPARGCYP3A4ALDH1A1CYP1A2CYP2D6
SCHEMBL4953745 0.75 MMP9 (0.46) CYP3A4MMP9MMP8MMP14ALDH1A1

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
US-4000985-A DISAZO MORTON-NORWICH PRODUCTS, INC. (US) 1977-01-04 US disclosed