SCHEMBL9816747

SCHEMBL9816747

CCc1ccccc1C(Cl)(CCl)c1ccccc1CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 2/20 0.33
PDK2 Q15119 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2494176 0.77 GABRA1 (0.43) GABRA1GABRB2ALDH1A1MGLLMAPT
Ammonia Solution, Strong SCHEMBL31053893 0.77 GABRA1 (0.43) GABRA1GABRB2ALDH1A1TSHRMGLL
Ammonia Solution, Strong SCHEMBL11351606 0.75 GABRA1 (0.41) GABRA1GABRB2ALDH1A1MGLLMAPT
SCHEMBL11872740 0.73 GABRA1 (0.40) GABRA1GABRB2ALDH1A1TSHRMGLL
SCHEMBL9816740 0.73 GABRA1 (0.40) GABRA1GABRB2ALDH1A1MGLLMAPT
SCHEMBL29120477 0.73 GABRA1 (0.48) GABRA1GABRB2ALDH1A1MGLLMAPT
SCHEMBL16105766 0.73 GABRA1 (0.48) GABRA1GABRB2ALDH1A1TSHRMGLL
SCHEMBL18916830 0.73 GABRA1 (0.48) GABRA1GABRB2ALDH1A1MGLLMAPT
SCHEMBL9130050 0.73 KCNN4 (0.45) ALDH1A1TSHRMAPTNPSR1L3MBTL1
SCHEMBL1521882 0.73 GABRA1 (0.48) GABRA1GABRB2ALDH1A1TSHRMGLL

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-0135714-B1 SUSTAINED RELEASE COMPOSITIONS FOR BIOLOGICALLY ACTIVE MATERIALS MELAMINE CHEMICALS, INC. (US) 1991-11-06 EP disclosed