SCHEMBL8376563

SCHEMBL8376563

CCCCCC1CCC(c2ccc(C(C)c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SPHK1 Q9NYA1 4/20 0.39
ADRB2 P07550 1/20 0.39
ESR2 Q92731 1/20 0.37
GAA P10253 1/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A4 P31645 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 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
SCHEMBL8376558 0.90 CYP2C9 (0.50) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL3437349 0.90 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL4796064 0.90 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11294593 0.89 SPHK1 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11290798 0.89 SPHK1 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL4796401 0.89 SPHK1 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11298227 0.89 SPHK1 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL4802620 0.89 SPHK1 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11294876 0.89 SPHK1 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11289256 0.89 SPHK1 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1

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