SCHEMBL8049033

SCHEMBL8049033

O=C(C=Cc1ccccc1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.84
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
MMP1 P03956 11/20 0.71
MMP2 P08253 11/20 0.71
MMP9 P14780 11/20 0.71
EGFR P00533 5/20 0.71
MAOA P21397 4/20 0.71
MAOB P27338 4/20 0.71
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC1 Q13547 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64

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
SCHEMBL8049032 1.00 LTB4R (0.84) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL6013371 0.89 MMP1 (0.79) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL8048917 0.89 LTB4R (0.76) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL8059640 0.89 LTB4R (0.76) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL8048920 0.89 LTB4R (0.76) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL8060333 0.89 LTB4R (0.76) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL6013373 0.89 MMP1 (0.79) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL8060579 0.89 LTB4R (0.76) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL8060331 0.89 LTB4R (0.76) LTB4RMEN1KMT2AMMP1MMP2
SCHEMBL8060580 0.89 LTB4R (0.76) LTB4RMEN1KMT2AMMP1MMP2

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 5 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
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
US-RE32944-E Aromatic carboxylic amide derivatives Kissei Yakuhin Kogyo Kabushiki (JP) 1989-06-06 US disclosed
US-4070484-A Antiallergic composition containing aromatic carboxylic amide derivatives and method of using the same KISSEI PHARMACEUTICAL CO., LTD. (JA) 1978-01-24 US disclosed
US-3940422-A ANTIALLERGEN KISSEI YAKUHIN KOGYO KABUSHIKI KAISHA (JA) 1976-02-24 US disclosed