SCHEMBL28329318

SCHEMBL28329318

O=C(O)CC1=CC=CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.32
CA2 P00918 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30
THRB P10828 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
SCHEMBL4312216 0.91
SCHEMBL11553575 0.76
SCHEMBL20749144 0.74 ALDH1A1 (0.40)
SCHEMBL6136904 0.73 TET2 (0.31)
SCHEMBL18755430 0.72 ALDH1A1 (0.38)
SCHEMBL11594961 0.71 NPSR1 (0.41)
SCHEMBL7118503 0.71 POLB (0.33) AKR1B1CA2CAMK2A
SCHEMBL18699267 0.70
SCHEMBL9972656 0.69 KMT2A (0.31)
SCHEMBL14785349 0.69

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
CN-110475548-A Modularization transdermal delivery system and related preparation and application PURE RATIOS HOLDINGS INC 2019-11-19 CN disclosed