SCHEMBL9846447

SCHEMBL9846447

C=C(c1ccc(OCCCCCCCC)c(OCCCCCCCC)c1)c1ccc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.51
▸ GPBAR1 Q8TDU6 2/20 0.46
▸ SMPD1 P17405 4/20 0.43
▸ CYSLTR2 Q9NS75 2/20 0.43
▸ CYSLTR1 Q9Y271 2/20 0.43
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL3862153 0.75 RAB9A (0.48) CNR2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27961236 0.74 CNR2 (0.54) CNR1CNR2NPC1
SCHEMBL16114537 0.72 TLR8 (0.60) TLR8GPBAR1CYSLTR2CYSLTR1MAPT
SCHEMBL28276324 0.72 TLR8 (0.60) TLR8GPBAR1CYSLTR2CYSLTR1MAPT
SCHEMBL5935781 0.71 ALDH1A1 (0.57) MAPTSMN1; SMN2
SCHEMBL2368074 0.71 TLR8 (0.61) TLR8GPBAR1CYSLTR2CYSLTR1NPC1
SCHEMBL12510798 0.71 TLR8 (0.61) TLR8GPBAR1CYSLTR2CYSLTR1NPC1
SCHEMBL368050 0.71 TLR8 (0.59) TLR8GPBAR1CYSLTR2CYSLTR1MAPT
SCHEMBL346563 0.70 TLR8 (0.64) TLR8GPBAR1CNR1CNR2MAPT
SCHEMBL3860500 0.70 HSD17B14 (0.52) CYSLTR2CYSLTR1CNR2NPC1MAPT

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
EP-0429239-A1 Record material utilising a vinyl carbinol or derivative thereof as a chromogenic compound The Wiggins Teape Group Limited (GB) 1991-05-29 — — EP disclosed
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