SCHEMBL9303850

SCHEMBL9303850

CCCCCCCCC[CH]c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
P2RX7 Q99572 1/20 0.41
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
TP53 P04637 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
FAAH O00519 3/20 0.35
EPHX2 P34913 2/20 0.35
CYP2D6 P10635 2/20 0.35
LIPG Q9Y5X9 1/20 0.34
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9245692 1.00 TSHR (0.42) TSHRALDH1A1P2RX7SOAT2SOAT1
SCHEMBL1610408 1.00 TSHR (0.42) TSHRALDH1A1P2RX7SOAT2SOAT1
SCHEMBL1610543 1.00 TSHR (0.42) TSHRALDH1A1P2RX7SOAT2SOAT1
SCHEMBL1610236 0.98 ALDH1A1 (0.43) TSHRALDH1A1P2RX7SOAT2SOAT1
SCHEMBL1611320 0.92 TSHR (0.45) TSHRALDH1A1P2RX7TP53CYP2D6
SCHEMBL1610200 0.85 CNR1 (0.37) TSHRP2RX7FAAHCYP2D6CNR1
SCHEMBL1612511 0.85 CNR1 (0.37) TSHRP2RX7FAAHCYP2D6CNR1
SCHEMBL1610013 0.84 TSHR (0.48) TSHRALDH1A1TP53CYP2D6HTT
SCHEMBL1611455 0.83 TLR8 (0.36) TSHRALDH1A1P2RX7FAAHCNR1
SCHEMBL3602229 0.79 CA12 (0.44) ALDH1A1CYSLTR2CYSLTR1EPHX2HTT

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-5354729-A Controlling weeds at low dosage; nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0579469-A2 N-acyldihydroquinoline derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-01-19 EP disclosed