SCHEMBL6695553

SCHEMBL6695553

CCC1CCC(C2CCC(OC(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN3A Q9NY46 2/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
CASP3 P42574 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
SERPINE1 P05121 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5836880 1.00 CYP19A1 (0.46) CYP19A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL6695556 1.00 CYP19A1 (0.46) CYP19A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL11099259 0.91 SCN1A (0.50) CYP19A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL8071324 0.89 CYP19A1 (0.54) CYP19A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL6696392 0.89 CYP2C9 (0.44) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL10799986 0.89 CYP2C9 (0.44) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL6696396 0.89 CYP2C9 (0.44) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL5835906 0.89 CYP2C9 (0.44) SCN1ASCN2ASCN3AKMT2AMAPT
SCHEMBL12199920 0.89 CYP19A1 (0.49) CYP19A1SCN1ASCN2ASCN3AKMT2A
SCHEMBL14268567 0.87 MEN1 (0.55) CYP19A1SCN1ASCN2ASCN3AKMT2A

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-20040119051-A1 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. 2004-06-24 US disclosed