SCHEMBL8649783

SCHEMBL8649783

C=CC(=O)OC(C)Cc1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL28928014 0.85 ACE2 (0.40) ALDH1A1TSHRGAA
SCHEMBL4653235 0.85 ALDH1A1 (0.32) ALDH1A1TSHRGAA
SCHEMBL4579754 0.83 CA12 (0.38) ALDH1A1TSHRGAA
SCHEMBL8155476 0.81 ALDH1A1 (0.43) ALDH1A1TSHRGAAALOX15
SCHEMBL11130479 0.79 ALDH1A1 (0.34) ALDH1A1TSHRALOX15ALOX12
SCHEMBL690261 0.78 PRKCG (0.36) ALDH1A1
SCHEMBL9646933 0.73 CTSK (0.47) TSHR
SCHEMBL4653255 0.73 THRB (0.39) ALDH1A1TSHRGAA
Phthalic Acid SCHEMBL27921844 0.72 ALDH1A1 (0.45) ALDH1A1ALOX15
SCHEMBL4577992 0.71 TSHR (0.34) ALDH1A1TSHRGAA

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
US-5834532-A BLEND OF POLYMERIZABLE MONOMER HAVING ACIDIC GROUPS AND AN INITIATOR SUN MEDICAL CO., LTD. (JP) 1998-11-10 US claimed