SCHEMBL2774540

SCHEMBL2774540

CCCCCc1cc[c]c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
PTGS2 P35354 4/20 0.39
CYP3A4 P08684 2/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 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
SCHEMBL10791414 0.98 HSD17B10 (0.49) HSD17B10TSHRLPLLIPGPTGS2
SCHEMBL11310758 0.98 HSD17B10 (0.49) HSD17B10TSHRLPLLIPGPTGS2
SCHEMBL28378523 0.97 HSD17B10 (0.42) HSD17B10TSHRLPLLIPGPTGS2
SCHEMBL456237 0.82 CYP2A6 (0.42) HSD17B10TSHRKDM4EALDH1A1LMNA
SCHEMBL15067603 0.78 PTGS2 (0.44) HSD17B10LPLLIPGPTGS2CYP3A4
SCHEMBL4651955 0.77 KCNH2 (0.42) LPLLIPGHTR2AKAT8
SCHEMBL677464 0.77 PTGS2 (0.42) HSD17B10LPLLIPGPTGS2CYP3A4
SCHEMBL6885851 0.77 SKP2 (0.46) HSD17B10LPLLIPGPTGS2CYP3A4
SCHEMBL15067037 0.77 PTGS2 (0.46) HSD17B10LPLLIPGPTGS2CYP3A4
SCHEMBL15067049 0.77 PTGS2 (0.46) HSD17B10LPLLIPGPTGS2CYP3A4

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
JP-56065862-A None JP disclosed
US-8848158-B2 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION (US) 2014-09-30 US disclosed
US-7803285-B2 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION (US) 2010-09-28 US disclosed
US-20100097563-A1 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION 2010-04-22 US disclosed
US-20100040804-A1 Liquid crystal display device and associated liquid crystal media for use in the same GENTEX CORPORATION 2010-02-18 US disclosed
JP-S5665862-A ESTER COMPOUND SEIKO EPSON CORP 1981-06-03 JP disclosed