SCHEMBL8058288

SCHEMBL8058288

Cc1cccc(/C=C/C(=O)Nc2cccc(C(=O)O)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.73
MMP2 P08253 11/20 0.73
MMP9 P14780 11/20 0.73
MAOB P27338 4/20 0.73
EGFR P00533 3/20 0.73
MAOA P21397 3/20 0.73
LTB4R Q15722 1/20 0.67
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL8058291 1.00 MMP1 (0.73) MMP1MMP2MMP9MAOBEGFR
SCHEMBL8060333 0.88 LTB4R (0.76) MMP1MMP2MMP9MAOBEGFR
SCHEMBL8060331 0.88 LTB4R (0.76) MMP1MMP2MMP9MAOBEGFR
SCHEMBL8049032 0.88 LTB4R (0.84) MMP1MMP2MMP9MAOBEGFR
SCHEMBL8049033 0.88 LTB4R (0.84) MMP1MMP2MMP9MAOBEGFR
SCHEMBL15396455 0.86 LTB4R (0.69) MMP1MMP2MMP9MAOBEGFR
SCHEMBL6013373 0.85 MMP1 (0.79) MMP1MMP2MMP9MAOBLTB4R
SCHEMBL6013371 0.85 MMP1 (0.79) MMP1MMP2MMP9MAOBLTB4R
SCHEMBL6759894 0.85 MMP1 (0.70) MMP1MMP2MMP9MAOBEGFR
N-M-Tolylcinnamamide SCHEMBL3732520 0.85 MMP1 (1.00) MMP1MMP2MMP9MAOBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US disclosed
EP-1003712-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-31 EP disclosed
US-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed
WO-1999007669-A1 ANTHRANILIC ACID ANALOGS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-18 WO disclosed