SCHEMBL1867458

SCHEMBL1867458

Cc1ccc(Cl)c(O)c1C.Cc1cccc(O)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.65
ATM Q13315 1/20 0.65
ALDH1A1 P00352 6/20 0.43
TSHR P16473 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 4/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ADAMTS4 O75173 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL28812975 0.85 DPP4 (0.39) TRPA1ATMALDH1A1TSHRHSD17B10
SCHEMBL34164 0.85 DPP4 (0.39) TRPA1ATMALDH1A1TSHRHSD17B10
SCHEMBL1362999 0.82 TRPA1 (0.40) TRPA1ATMALDH1A1TSHRHSD17B10
SCHEMBL5940935 0.81 TRPA1 (1.00) TRPA1ATMALDH1A1TSHRGABRA1
SCHEMBL3498 0.81
SCHEMBL29622820 0.81
SCHEMBL2500689 0.79 TRPA1 (0.85) TRPA1ATMALDH1A1TSHRGABRA1
Phosphine SCHEMBL18662384 0.79 TRPA1 (0.94) TRPA1ATMALDH1A1TSHRGABRA1
SCHEMBL5658340 0.79 TRPA1 (0.94) TRPA1ATMALDH1A1TSHRGABRA1
Ammonia Solution, Strong SCHEMBL3744582 0.79 TRPA1 (0.94) TRPA1ATMALDH1A1TSHRGABRA1

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
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed