SCHEMBL6696396

SCHEMBL6696396

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](OC(=O)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CASP3 P42574 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 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
SCHEMBL6696392 1.00 CYP2C9 (0.44) CYP2C9MAPTALDH1A1HTTLMNA
SCHEMBL10799986 1.00 CYP2C9 (0.44) CYP2C9MAPTALDH1A1HTTLMNA
SCHEMBL5835906 1.00 CYP2C9 (0.44) CYP2C9MAPTALDH1A1HTTLMNA
SCHEMBL11104527 0.92 SCN1A (0.48) CYP2C9MAPTALDH1A1HTTLMNA
SCHEMBL11042489 0.91 HTT (0.46) MAPTALDH1A1HTTSCN1ASCN2A
SCHEMBL11042479 0.91 HTT (0.46) MAPTALDH1A1HTTSCN1ASCN2A
SCHEMBL13135352 0.90 CYP2C9 (0.51) CYP2C9MAPTALDH1A1HTTLMNA
SCHEMBL14096170 0.89 ESR1 (0.46) CYP2C9MAPTALDH1A1HTTLMNA
SCHEMBL6695556 0.89 CYP19A1 (0.46) MAPTALDH1A1HTTSCN1ASCN2A
SCHEMBL6695553 0.89 CYP19A1 (0.46) MAPTALDH1A1HTTSCN1ASCN2A

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
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
US-4487954-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1984-12-11 US disclosed