SCHEMBL6931967

SCHEMBL6931967

C=Cc1ccc(C(O)C(OC)(OC)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.33
AOC3 Q16853 1/20 0.33
CES1 P23141 1/20 0.33
HSD17B2 P37059 1/20 0.32
PTGS2 P35354 1/20 0.32
KCNN4 O15554 1/20 0.32
ACP3 P15309 1/20 0.31
ALOX15 P16050 1/20 0.31
RIPK1 Q13546 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL2456204 0.85 AOC3 (0.43) ALDH1A1AOC3CES1KCNN4ACP3
SCHEMBL19164543 0.79 ALDH1A1 (0.43) ALDH1A1TSHRAOC3HSD17B2PTGS2
SCHEMBL5200151 0.73 ALDH1A1 (0.48) ALDH1A1TSHRTRPA1CES1KCNN4
SCHEMBL24390577 0.72 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B2PTGS2ALOX15
SCHEMBL10800116 0.72 CES1 (0.42) ALDH1A1CES1KCNN4ALOX15
SCHEMBL19137407 0.70 ALDH1A1 (0.48) ALDH1A1TSHRTRPA1AOC3HSD17B2
SCHEMBL847046 0.70 ALDH1A1 (0.37) ALDH1A1TSHRAOC3RIPK1
SCHEMBL6930921 0.70 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B2RIPK1TAS1R3
SCHEMBL10512565 0.69 CES1 (0.40) ALDH1A1CES1KCNN4ALOX15
SCHEMBL7691954 0.69 CES1 (0.44) ALDH1A1CES1KCNN4ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216142-A4 THERMOFORMABLE OPHTHALMIC LENS NOVARTIS AG (CH) 2003-06-11 EP disclosed
EP-1216142-A1 THERMOFORMABLE OPHTHALMIC LENS Wesley Jessen Corporation (US) 2002-06-26 EP disclosed
WO-2001005578-A1 THERMOFORMABLE OPHTHALMIC LENS WESLEY-JESSEN CORPORATION (US) 2001-01-25 WO disclosed