SCHEMBL2718019

SCHEMBL2718019

C=CCC(CC=C)(C(=O)O)c1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 1/20 0.62
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
ALOX15 P16050 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL1733341 0.80 KMT2A (0.49) ALDH1A1TSHRHTTKMT2AALOX15
SCHEMBL10366355 0.79 ALDH1A1 (0.60) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL7769347 0.77 ALDH1A1 (1.00) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL444608 0.76 ALDH1A1 (0.57) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL8020606 0.75 ALDH1A1 (0.55) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL8020617 0.75 ALDH1A1 (0.55) ALDH1A1TSHRHTTKMT2AMEN1
SCHEMBL2148322 0.74 ALDH1A1 (0.46) ALDH1A1TSHRKMT2AALOX15SMN1; SMN2
SCHEMBL7076992 0.72 ALDH1A1 (0.48) ALDH1A1KMT2AALOX15SMN1; SMN2MEN1
SCHEMBL9748549 0.71 ALDH1A1 (0.80) ALDH1A1TSHRHTTKMT2ASMN1; SMN2
SCHEMBL8404396 0.70 ALDH1A1 (0.56) ALDH1A1KMT2AALOX15SMN1; SMN2MEN1

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-2621455-B1 POLYMERIZABLE DENTAL MATERIAL COMPRISING A REACTIVE PASTE FORMER, HARDENED DENTAL MATERIAL AND USE THEREOF KETTENBACH GMBH & CO KG (DE) 2019-06-26 EP disclosed
EP-2621455-A2 POLYMERIZABLE DENTAL MATERIAL COMPRISING REACTIVE PASTE FORMERS, HARDENED DENTAL MATERIAL AND USE THEREOF Kettenbach GmbH & CO. KG (DE) 2013-08-07 EP disclosed
WO-2012052249-A2 POLYMERIZABLE DENTAL MATERIAL COMPRISING REACTIVE PASTE FORMERS, HARDENED DENTAL MATERIAL AND USE THEREOF KETTENBACH GMBH & CO. KG (DE) 2012-04-26 WO disclosed