SCHEMBL876064

SCHEMBL876064

C=CCN(CC=C)c1cccc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
UNG P13051 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
FOLH1 Q04609 1/20 0.42
KMO O15229 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4881018 0.84 PPARA (0.46) PTPN1UNGCA12CA1CA2
SCHEMBL8223753 0.81 KMT2A (0.41) PTPN1UNGCA12CA1CA2
SCHEMBL611180 0.80 PTPN1 (0.45) PTPN1HPGDTSHRALDH1A1KMT2A
SCHEMBL6153204 0.80 PTPN1 (0.49) PTPN1HPGDTSHRALDH1A1KMT2A
SCHEMBL10694157 0.80 CHKA (0.41) PTPN1ALDH1A1
SCHEMBL14898280 0.79 LMNA (0.49) PTPN1HPGDALDH1A1LMNAKMT2A
SCHEMBL250420 0.79 TSHR (0.46) PTPN1CA12CA1CA2CA6
SCHEMBL6445977 0.78 KMT2A (0.47) PTPN1HPGDTSHRALDH1A1KMT2A
SCHEMBL11215796 0.78 KCNK3 (0.58) HPGDALDH1A1KMT2A
SCHEMBL872529 0.77 ALDH1A1 (0.56) CA12CA1CA2CA6CA9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059900-B2 Aminobenzoic acid derivatives THE LUBRIZOL CORPORATION (US) 2018-08-28 US disclosed
US-20180002629-A1 AMINOBENZOIC ACID DERIVATIVES LUBRIZOL CORP (US) 2018-01-04 US disclosed
US-9222051-B2 Lubricating composition with improved TBN retention THE LUBRIZOL CORPORATION (US) 2015-12-29 US disclosed
US-20140187458-A1 Lubricating Composition With Improved TBN Retention THE LUBRIZOL CORPORATION (US) 2014-07-03 US disclosed
US-20130281336-A1 Aminobenzoic Acid Derivatives THE LUBRIZOL CORPORATION (US) 2013-10-24 US disclosed
EP-2619293-A1 AMINOBENZOIC ACID DERIVATIVES The Lubrizol Corporation (US) 2013-07-31 EP disclosed
WO-2012166781-A1 LUBRICATING COMPOSITION WITH IMPROVED TBN RETENTION THE LUBRIZOL CORPORATION (US) 2012-12-06 WO disclosed
WO-2012040021-A1 AMINOBENZOIC ACID DERIVATIVES THE LUBRIZOL CORPORATION (US) 2012-03-29 WO disclosed