SCHEMBL8375643

SCHEMBL8375643

CCCCCC1CCC([C@H]2CC[C@H](C(=O)Oc3ccc([C@H]4CC[C@H](CCCCC)CC4)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38
CCR2 P41597 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8375649 1.00 CYP2C9 (0.45) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8375645 1.00 CYP2C9 (0.45) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8375641 1.00 CYP2C9 (0.45) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL3273315 0.98 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10910260 0.98 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7900636 0.98 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7900638 0.98 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8379717 0.98 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8211345 0.98 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7900631 0.98 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A

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
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed