SCHEMBL873032

SCHEMBL873032

CCCNc1cccc(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.61
ALDH1A1 P00352 1/20 0.51
NR1H4 Q96RI1 6/20 0.51
AKR1C2 P52895 3/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPA1 O75762 1/20 0.49
CYP1A2 P05177 1/20 0.49
HCAR3 P49019 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL16882734 0.91 ADRB2 (0.54) AKR1C3NR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL6325442 0.90 AKR1C3 (0.58) AKR1C3NR1H4SMN1; SMN2HCAR3
SCHEMBL9231035 0.89 NR1H4 (0.56) AKR1C3ALDH1A1NR1H4HCAR3
SCHEMBL6330053 0.87 HDAC11 (0.58) AKR1C3ALDH1A1NR1H4HCAR3
SCHEMBL21940532 0.87 HDAC11 (0.58) AKR1C3ALDH1A1NR1H4HCAR3
SCHEMBL30012465 0.87 HDAC11 (0.58) AKR1C3ALDH1A1NR1H4HCAR3
SCHEMBL6332453 0.87 HDAC11 (0.58) AKR1C3ALDH1A1NR1H4HCAR3
SCHEMBL6330083 0.87 HDAC11 (0.58) AKR1C3ALDH1A1NR1H4HCAR3
SCHEMBL11735992 0.86 HPGD (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL497784 0.86 AKR1C3 (0.65) AKR1C3ALDH1A1NR1H4NPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631136-A Primer and kit of primer and dental material 凯滕巴赫股份两合公司 2021-11-09 CN disclosed
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-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 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
US-6858565-B2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2005-02-22 US disclosed
US-20030040434-A1 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2003-02-27 US disclosed
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed