SCHEMBL9335447

SCHEMBL9335447

CCCCCC#Cc1ccc(C#Cc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRP O00591 4/20 0.43
GABRD O14764 4/20 0.43
GABRA1 P14867 4/20 0.43
GABRB1 P18505 4/20 0.43
GABRG2 P18507 4/20 0.43
GABRB3 P28472 4/20 0.43
GABRA5 P31644 4/20 0.43
GABRA3 P34903 4/20 0.43
GABRA2 P47869 4/20 0.43
GABRB2 P47870 4/20 0.43
GABRA4 P48169 4/20 0.43
GABRE P78334 4/20 0.43
GABRA6 Q16445 4/20 0.43

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
SCHEMBL9333022 0.99 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9332925 0.99 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9332969 0.99 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9332887 0.96 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9332655 0.95 GABRP (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9335401 0.95 GABRP (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9335741 0.93 SPHK1 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9332697 0.93 SPHK1 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9333049 0.93 SPHK1 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9333030 0.93 SPHK1 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1

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
EP-0377516-B1 Liquid crystal compounds having high optical anisotropy CHISSO CORP (JP) 1994-05-04 EP disclosed
US-5154851-A LIQUID CRYSTAL COMPOUND HAVING LARGE OPTICAL ANISOTROPY VALUE CHISSO CORPORATION (JP) 1992-10-13 US disclosed