SCHEMBL11418554

SCHEMBL11418554

CCCCC1CCC(OC(=O)c2ccc(C3CCC(CC)CC3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 2/20 0.45
NAAA Q02083 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP19A1 P11511 1/20 0.41
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.37

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
SCHEMBL11412320 1.00 CYP2C9 (0.52) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11412549 0.96 CYP2C9 (0.51) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11403232 0.96 CYP2C9 (0.51) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11412244 0.96 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11407427 0.95 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11405160 0.95 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11408439 0.95 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11419368 0.95 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11413471 0.95 CYP2C9 (0.50) CYP2C9ALDH1A1MAPTLMNAHTT
SCHEMBL11272010 0.94 CYP2C9 (0.60) CYP2C9ALDH1A1MAPTLMNAHTT

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 US disclosed