SCHEMBL9621792

SCHEMBL9621792

CCCC(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 15/20 0.61
P4HA1 P13674 1/20 0.61
MIF P14174 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL7276744 0.86 P4HA1 (0.61) P4HTMP4HA1MIFL3MBTL1KDM4E
SCHEMBL19919862 0.86 P4HTM (0.66) P4HTMP4HA1MIFL3MBTL1KDM4E
SCHEMBL27386679 0.79 HSD17B3 (0.53) L3MBTL1KDM4EMEN1MAPTKMT2A
SCHEMBL11899972 0.77 NAPRT (0.56) L3MBTL1ALDH1A1MEN1LMNAMAPT
SCHEMBL13838594 0.77 SMN1; SMN2 (0.56) L3MBTL1HPGDSMN1; SMN2HSD17B3
SCHEMBL568662 0.77 HSD17B3 (0.52) L3MBTL1HPGDSMN1; SMN2HSD17B3
Pyridine-2,5-Dicarboxylic Acid SCHEMBL70231 0.77 P4HTM (1.00) P4HTMP4HA1MIFL3MBTL1KDM4E
Pyridine-2,5-Dicarboxylic Acid SCHEMBL29363410 0.77 P4HTM (1.00) P4HTMP4HA1MIFL3MBTL1KDM4E
SCHEMBL27525392 0.77 P4HTM (0.58) P4HTMP4HA1MIFL3MBTL1KDM4E
SCHEMBL23149647 0.76 KDM4E (0.56) P4HTMP4HA1MIFL3MBTL1KDM4E

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260814-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-05 EP disclosed
US-4992459-A Hypotensive agents, antiulcer agents SMITHKLINE BEECHAM CORPORATION (US) 1991-02-12 US disclosed
EP-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS 1990-09-12 EP disclosed
US-4935438-A Dopamine-β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1990-06-19 US disclosed
EP-0371733-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 EP disclosed
EP-0371732-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 EP disclosed
EP-0371730-A1 Dopamine-B-Hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 EP disclosed
US-4912226-A A 1-(benyzlsubstituted-),2-((1,3-dioneisoindolin-2-yl)alkyl thio-)imidazole SMITHKLINE BECKMAN CORPORATION (US) 1990-03-27 US disclosed
EP-0359505-A1 Dopamine-beta hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-03-21 EP disclosed
US-4882348-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-11-21 US disclosed
EP-0250264-A1 Irreversible dopamine-Beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-12-23 EP disclosed
CN-87103808-A The dopamine-inhibitor 1987-12-09 CN disclosed
EP-0246888-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-11-25 EP disclosed
EP-0244956-A1 Ester prodrugs of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-11-11 EP disclosed
EP-0225718-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-06-16 EP disclosed
EP-0219961-A1 Irreversible dopamine-B-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1987-04-29 EP disclosed
EP-0214740-A2 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-18 EP disclosed
US-4634711-A ENZYME INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1987-01-06 US disclosed
US-4628059-A TRIAZOLES SMITHKLEIN BECKMAN CORPORATION (US) 1986-12-09 US disclosed
US-4532331-A 1-Benzyl-2-aminomethyl imidazole derivatives SMITHKLINE BECKMAN CORPORATION (US) 1985-07-30 US disclosed