SCHEMBL9802003

SCHEMBL9802003

CCCC=Cc1ccccc1CCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.49
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
MMP2 P08253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ECE1 P42892 1/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 1/20 0.43
MUS81 Q96NY9 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL9802364 1.00 LIPG (0.49) LIPGF7F3MMP2KDM4E
SCHEMBL9801998 1.00 LIPG (0.49) LIPGF7F3MMP2KDM4E
SCHEMBL9802374 1.00 LIPG (0.49) LIPGF7F3MMP2KDM4E
SCHEMBL27531219 0.98 LIPG (0.46) LIPGF7F3MMP2KDM4E
SCHEMBL27875985 0.93 F7 (0.49) LIPGF7F3MMP2KDM4E
SCHEMBL9802025 0.93 LIPG (0.49) LIPGF7F3MMP2KDM4E
SCHEMBL9802035 0.93 LIPG (0.49) LIPGF7F3MMP2KDM4E
SCHEMBL27876083 0.92 F7 (0.47) LIPGF7F3MMP2KDM4E
SCHEMBL10675468 0.89 LIPG (0.45) LIPGF7F3MMP2KDM4E
SCHEMBL9802041 0.89 LIPG (0.45) LIPGF7F3MMP2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225602-B1 ALPHA-HYDROXYTHIO ETHERS CIBA-GEIGY AG (CH) 1991-10-09 EP disclosed
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4808572-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
EP-0228045-A2 Aromatic thioethers CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0225602-A2 Alpha-hydroxythio ethers CIBA-GEIGY AG (CH) 1987-06-16 EP disclosed