SCHEMBL9113145

SCHEMBL9113145

[NH]C(=O)CC=Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.70
MAOB P27338 5/20 0.58
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
HDAC1 Q13547 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PLIN1 O60240 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
RECQL P46063 2/20 0.48
PLIN5 Q00G26 2/20 0.48
ABHD5 Q8WTS1 2/20 0.48
TNKS O95271 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48

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
SCHEMBL9113139 1.00 PAM (0.70) PAMMAOBPTGER4PTGER3PTGER2
SCHEMBL4296099 0.83 PAM (0.76) PAMMAOBPTGER4PTGER3PTGER2
SCHEMBL156767 0.83 PAM (1.00) PAMMAOBPTGER4PTGER3PTGER2
SCHEMBL582727 0.83 PAM (1.00) PAMMAOBPTGER4PTGER3PTGER2
SCHEMBL4296095 0.83 PAM (0.76) PAMMAOBPTGER4PTGER3PTGER2
SCHEMBL2148302 0.83 PAM (1.00) PAMMAOBPTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL28759894 0.81 PAM (0.96) PAMMAOBPTGER4PTGER3PTGER2
SCHEMBL387249 0.81 PAM (0.96) PAMMAOBPTGER4PTGER3PTGER2
Ammonia Solution, Strong SCHEMBL6327623 0.81 PAM (0.96) PAMMAOBPTGER4PTGER3PTGER2
Ammonia Solution, Strong SCHEMBL6327618 0.81 PAM (0.96) PAMMAOBPTGER4PTGER3PTGER2

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
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed