SCHEMBL4826515

SCHEMBL4826515

CCC[C@H]1CC[C@H](c2[c]ccc(CC)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FYN P06241 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30

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
SCHEMBL15063639 0.89 TRPA1 (0.32) —
SCHEMBL27851007 0.82 SMN1; SMN2 (0.35) MAPTRAB9A
SCHEMBL1777026 0.81 SMN1; SMN2 (0.35) MAPTRAB9A
SCHEMBL21268438 0.79 DRD2 (0.38) —
SCHEMBL27972049 0.77 QDPR (0.37) CYP2C9
SCHEMBL2768743 0.76 CYP2C9 (0.41) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL10377797 0.74 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL11159495 0.72 CYP2C9 (0.47) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL1776631 0.72 DRD2 (0.42) MEN1KMT2A
SCHEMBL11159500 0.72 CYP2C9 (0.47) CYP2C9ALDH1A1MAPTLMNAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 — — US claimed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 — — US claimed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 — — US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 — — US disclosed
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