SCHEMBL9335338

SCHEMBL9335338

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.43
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
ESR2 Q92731 1/20 0.38
SPHK2 Q9NRA0 7/20 0.38

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
SCHEMBL9332952 1.00 SPHK1 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL9335785 1.00 SPHK1 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL10983012 0.99 SPHK1 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL10983010 0.99 SPHK1 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL10985881 0.99 SPHK1 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL10985886 0.99 SPHK1 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL9333494 0.99 CYP2C9 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL10987766 0.97 CYP2C9 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL10994178 0.97 CYP2C9 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A
SCHEMBL9335350 0.94 CYP2C9 (0.43) SPHK1CYP2C9MAPTMEN1KMT2A

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