SCHEMBL8154483

SCHEMBL8154483

CCCCOC(C)C(O)OC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
DNM1 Q05193 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL3302792 0.86 TSHR (0.36) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL6551737 0.86 HSD17B10 (0.39) HSD17B10TDP1
SCHEMBL5477284 0.83 LMNA (0.35) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL11417020 0.80 SPHK1 (0.35) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL9730288 0.79 TSHR (0.37) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL10414798 0.79 TSHR (0.37) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL9729913 0.79 TSHR (0.37) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL9730528 0.79 TSHR (0.37) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL873337 0.79 TSHR (0.37) TSHRDNM1ALDH1A1HSD17B10ADRB2
SCHEMBL9731348 0.79 TSHR (0.37) TSHRDNM1ALDH1A1HSD17B10ADRB2

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-6139917-A Liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-31 US disclosed
EP-0949532-A1 LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-10-13 EP disclosed