SCHEMBL14058512

SCHEMBL14058512

O=C(O)c1cccc(C(=O)OCC(O)CC(O)CO)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ADRB2 P07550 14/20 0.46
ADRB1 P08588 14/20 0.46
ADRB3 P13945 14/20 0.46
PRKCA P17252 1/20 0.43
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7946052 0.93 ALDH1A1 (0.51) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL7144537 0.86 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL8723109 0.86 ADRB2 (0.54) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL25264639 0.84 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Isophthalic Acid SCHEMBL1276354 0.82 KMT2A (0.41) ALDH1A1ANPEPENPEPMAPT
SCHEMBL4762265 0.82 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1ADRB3ANPEP
SCHEMBL3087849 0.81 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL7688676 0.80 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL136510 0.80 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL9956241 0.80 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA

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
US-20140077484-A1 FRAC TANK AND TRAILER ASSEMBLY HARRELL JOHN M (US) 2014-03-20 US disclosed
US-20120299283-A1 FRAC TANK AND TRAILER ASSEMBLY HARRELL JOHN M (US) 2012-11-29 US disclosed