SCHEMBL9345129

SCHEMBL9345129

CCc1ccccc1C1=[C]CC=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
MGLL Q99685 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 3/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32
SLC9A1 P19634 1/20 0.31
PDK2 Q15119 1/20 0.30
CTSB P07858 1/20 0.30
DHFR P00374 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL198461 0.71 CSNK2A2 (0.52) CSNK2A2CSNK2BCSNK2A1CSNK2A3MGLL
Ethane SCHEMBL3687850 0.69 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3MGLL
SCHEMBL11382359 0.69 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3MGLL
SCHEMBL2776956 0.69 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3MGLL
SCHEMBL8095562 0.66 CYP2D6 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3MGLL
SCHEMBL7934049 0.64 TRPA1 (0.35) CSNK2A2CSNK2BCSNK2A1CSNK2A3MGLL
SCHEMBL328862 0.63 DPP4 (0.60) CYP2D6GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL1133085 0.63 PDK2 (0.49) CSNK2A2CSNK2BCSNK2A1CSNK2A3MGLL
SCHEMBL31261742 0.63 DPP4 (0.60) CYP2D6GABRA1GABRB2TRPA1ALDH1A1
SCHEMBL28790583 0.63 KMT2A (0.55) GABRA1GABRB2TRPA1ALDH1A1SMN1; SMN2

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-5279999-A Catalyst composition SHELL OIL COMPANY (US) 1994-01-18 US disclosed