SCHEMBL9339478

SCHEMBL9339478

COc1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.67
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
POLB P06746 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CHEK1 O14757 1/20 0.60
PIM1 P11309 1/20 0.60
MAPK8 P45983 1/20 0.60

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
SCHEMBL11162884 0.89 PKM (0.82) PKMALDH1A1MEN1KMT2ACA12
SCHEMBL4141962 0.84 MEN1 (0.89) PKMALDH1A1MEN1KMT2APOLB
SCHEMBL6349892 0.83 ATM (0.68) PKMALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9638131 0.83 MEN1 (0.86) PKMALDH1A1MEN1KMT2APOLB
SCHEMBL9337489 0.83 MEN1 (0.64) PKMALDH1A1MEN1KMT2APOLB
SCHEMBL9587189 0.81 NPC1 (0.73) PKMALDH1A1MEN1KMT2ACA1
SCHEMBL17664663 0.80 MEN1 (0.72) PKMALDH1A1MEN1KMT2APOLB
Veratric Acid SCHEMBL29386353 0.80 CA12 (1.00) PKMALDH1A1CA12CA1CA2
Veratric Acid SCHEMBL976032 0.80 CA12 (1.00) PKMALDH1A1CA12CA1CA2
Veratric Acid SCHEMBL114848 0.80 CA12 (1.00) PKMALDH1A1CA12CA1CA2

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-0460083-B1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION ROTTA RESEARCH LAB (IT) 1994-06-08 EP disclosed
US-5232937-A Cytoprotective agents, antisecretory agents, antagonist ROTTA RESEARCH LABORATORIUM SPA. (IT) 1993-08-03 US disclosed
WO-1990009989-A1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1990-09-07 WO disclosed