SCHEMBL9412166

SCHEMBL9412166

CCCC1CCC(c2ccc(-c3ccc(OC)c(F)c3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
CYP17A1 P05093 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NAAA Q02083 5/20 0.42
KDM1A O60341 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
TDP2 O95551 1/20 0.40
MGLL Q99685 4/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 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
SCHEMBL9412163 1.00 CYP2C9 (0.45) CYP2C9CYP17A1ALDH1A1MAPTLMNA
SCHEMBL19721872 0.91 MGLL (0.43) CYP2C9CYP17A1ALDH1A1MAPTLMNA
SCHEMBL6454237 0.89 KDM1A (0.40) CYP2C9CYP17A1NAAAKDM1AGRIN1
SCHEMBL6454232 0.89 KDM1A (0.40) CYP2C9CYP17A1NAAAKDM1AGRIN1
SCHEMBL20803583 0.89 KDM1A (0.47) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL9061783 0.88 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL18310423 0.88 CYP2C9 (0.43) CYP2C9CYP17A1ALDH1A1MAPTLMNA
SCHEMBL9061782 0.88 CYP2C9 (0.43) CYP2C9ALDH1A1MAPTLMNAMEN1
SCHEMBL9223892 0.86 CYP2C9 (0.42) CYP2C9CYP17A1ALDH1A1MAPTLMNA
SCHEMBL9223887 0.86 CYP2C9 (0.42) CYP2C9CYP17A1ALDH1A1MAPTLMNA

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
JP-6228037-A None JP disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed
JP-H06228037-A FLUORINE-SUBSTITUTED BENZENE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME KANTO CHEM CO INC 1994-08-16 JP disclosed