SCHEMBL20725532

SCHEMBL20725532

CC(CCc1ccccc1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.49
RIPK1 Q13546 1/20 0.47
TAAR1 Q96RJ0 3/20 0.47
HSPA5 P11021 1/20 0.43
HTR1A P08908 1/20 0.43
AKR1B1 P15121 1/20 0.42
MPO P05164 1/20 0.42

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
SCHEMBL29492342 0.83 TYR (0.63)
SCHEMBL21830521 0.83 TYR (0.63)
SCHEMBL985017 0.82 TAAR1 (0.52) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL1952363 0.81 SLC6A2 (0.47) TRPA1TAAR1HSPA5AKR1B1
SCHEMBL25215353 0.81 SLC6A2 (0.47) TRPA1TAAR1HSPA5AKR1B1
SCHEMBL678728 0.80 TAAR1 (0.54) TAAR1HSPA5HTR1AAKR1B1MPO
SCHEMBL6546634 0.79 RIPK1 (0.48) TRPA1RIPK1TAAR1
SCHEMBL6547043 0.79 RIPK1 (0.48) TRPA1RIPK1TAAR1
SCHEMBL11050916 0.79 TAAR1 (0.48) RIPK1TAAR1HSPA5AKR1B1MPO
SCHEMBL31005083 0.79 TAAR1 (0.48) RIPK1TAAR1HSPA5AKR1B1MPO

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-3441385-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT Mitsubishi Gas Chemical Company, Inc. (JP) 2019-02-13 EP disclosed