SCHEMBL8885605

SCHEMBL8885605

CC(=O)NCCc1ccc(C(CCCC(=O)O)c2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.64
TBXA2R P21731 5/20 0.64
POLB P06746 1/20 0.49
EPHX2 P34913 3/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8883601 0.97 TBXAS1 (0.65) TBXAS1TBXA2RPOLBEPHX2MTNR1A
SCHEMBL8884708 0.96 TBXAS1 (0.67) TBXAS1TBXA2RPOLBEPHX2MTNR1A
SCHEMBL10444857 0.89 TBXAS1 (0.53) TBXAS1TBXA2RPOLBEPHX2MTNR1A
SCHEMBL8885171 0.83 TBXAS1 (0.67) TBXAS1TBXA2REPHX2
SCHEMBL8883469 0.80 TBXAS1 (0.73) TBXAS1TBXA2R
SCHEMBL8882990 0.79 TBXAS1 (0.75) TBXAS1TBXA2R
SCHEMBL8882539 0.78 TBXAS1 (0.83) TBXAS1TBXA2R
SCHEMBL8882148 0.78 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL27587614 0.78 TBXAS1 (0.73) TBXAS1TBXA2REPHX2
SCHEMBL8882712 0.78 TBXAS1 (0.83) TBXAS1TBXA2R

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-5681961-A TREATMENT AND/OR PREVENTION OF THROMBOEMBOLIC DISORDERS, ARTERIOSCLEROSIS, METASTASIS. ISCHEMIA, ASTHMA, ALLERGIES DR. KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 EP disclosed
US-5426119-A Thromboxane antagonists DR. KARL THOMAE GMBH (DE) 1995-06-20 US disclosed
US-5294626-A Thromboxane synthesis inhibitors and anticoagulants DR. KARL THOMAS GMBH (DE) 1994-03-15 US disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 EP disclosed