SCHEMBL11403232

SCHEMBL11403232

CCCCCC1CCC(OC(=O)c2ccc(C3CCC(CC)CC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
NAAA Q02083 1/20 0.41
CYP19A1 P11511 1/20 0.40
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 1/20 0.36
GAA P10253 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL11412549 1.00 CYP2C9 (0.51) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11408439 0.99 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11419368 0.99 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11413471 0.99 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11405160 0.99 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11407427 0.99 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11412320 0.96 CYP2C9 (0.52) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11418554 0.96 CYP2C9 (0.52) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11413456 0.96 CYP2C9 (0.54) CYP2C9MAPTALDH1A1LMNAHTT
SCHEMBL11406711 0.95 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAHTT

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