SCHEMBL877659

SCHEMBL877659

C=CCNc1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.59
FFAR1 O14842 2/20 0.58
KDM4E B2RXH2 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
HCAR3 P49019 2/20 0.54
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPSE Q9Y251 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
PAX8 Q06710 1/20 0.48
HIF1A Q16665 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RHOA P61586 1/20 0.47

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
Isophthalic Acid SCHEMBL27427891 0.92 AKR1C3 (0.54) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL10832665 0.84 AKR1C3 (0.45) AKR1C3FFAR1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL11068211 0.84 FFAR1 (0.43) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL11075790 0.83 NR4A2 (0.49) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL370664 0.83 AKR1C3 (0.44) AKR1C3FFAR1KDM4ENPC1RAB9A
SCHEMBL11073671 0.83 EGFR (0.54) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1672629 0.81 AKR1C3 (0.56) AKR1C3FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL728274 0.80 CA12 (0.47) KDM4ERAB9AHCAR3ALDH1A1HPGD
SCHEMBL11155678 0.79 KMT2A (0.56) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL370685 0.79 HCAR3 (0.44) AKR1C3FFAR1KDM4ENPC1RAB9A

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
JP-57136580-A None JP disclosed
JP-57136570-A None JP 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-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
JP-S57136570-A NOVEL PYRIDYLAZO COMPOUND AND ITS PREPARATION AGENCY OF IND SCIENCE & TECHNOL 1982-08-23 JP disclosed
JP-S57136580-A NOVEL THIAZOLYLAZO COMPOUND AND ITS PREPARATION AGENCY OF IND SCIENCE & TECHNOL 1982-08-23 JP disclosed
US-3991097-A BORON HYDRIDE OR METAL BOROHYDRIDES AS REDUCING AGENT, LEWIS ACID HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed