SCHEMBL15381069

SCHEMBL15381069

CCCCCCCCc1ccc(Nc2ccc(N(c3ccc(CCCCCCCC)cc3)c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
RARB P10826 6/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
UNG P13051 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
LPL P06858 3/20 0.43
LIPG Q9Y5X9 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
MGLL Q99685 1/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42

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
SCHEMBL402791 0.91 RARB (0.50) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL14063941 0.91 HSD17B10 (0.54) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL13486975 0.91 HSD17B10 (0.54) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL17852990 0.90 HPGD (0.47) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL15681408 0.89 RARB (0.51) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL13892858 0.88 ESR1 (0.53) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL2687626 0.88 ESR1 (0.53) HSD17B10ALDH1A1MEN1MAPTKMT2A
SCHEMBL12593380 0.86 ESR1 (0.55) HSD17B10TSHRALDH1A1LPLLIPG
SCHEMBL12593375 0.86 ESR1 (0.55) HSD17B10TSHRALDH1A1LPLLIPG
SCHEMBL11962222 0.86 HSD17B10 (0.59) HSD17B10TSHRRARBALDH1A1MEN1

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-8581241-B2 Polymer compound, net-like polymer compound produced by crosslinking the polymer compound, composition for organic electroluminescence element, organic electroluminescence element, organic EL display, and organic EL lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-12 US disclosed