SCHEMBL7445814

SCHEMBL7445814

C=C(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
CYP1A2 P05177 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AKR1B1 P15121 1/20 0.47
BCHE P06276 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
HTR6 P50406 1/20 0.47
SLC6A3 Q01959 1/20 0.47
NLRP3 Q96P20 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP2A6 P11509 1/20 0.46
MC4R P32245 1/20 0.44
MC3R P41968 1/20 0.44
SLC13A5 Q86YT5 1/20 0.44
PDPK1 O15530 1/20 0.44

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
SCHEMBL3421625 0.93 AKR1C3 (0.49) ALOX5CYP1A2NR1H4MEN1KMT2A
SCHEMBL3425725 0.91 PTGS1 (0.43) ALOX5CYP1A2NR1H4MEN1KMT2A
SCHEMBL6371684 0.83 NR1H4 (0.49) ALOX5CYP1A2NR1H4MEN1KMT2A
SCHEMBL226474 0.83 CYP1A2 (0.61) CYP1A2SLC6A3SLC13A5PDPK1
SCHEMBL3700625 0.81 CYP1A2 (0.54) ALOX5CYP1A2NR1H4MEN1KMT2A
SCHEMBL30345756 0.81 CYP1A2 (0.54) ALOX5CYP1A2NR1H4MEN1KMT2A
2-Naphthylacetic Acid SCHEMBL29180271 0.81 NR1H4 (0.67) ALOX5CYP1A2NR1H4MEN1KMT2A
2-Naphthylacetic Acid SCHEMBL11102091 0.81 NR1H4 (0.67) ALOX5CYP1A2NR1H4MEN1KMT2A
SCHEMBL24241927 0.81 CYP1A2 (0.52) ALOX5CYP1A2NR1H4MEN1KMT2A
2-Naphthylacetic Acid SCHEMBL30493868 0.81 NR1H4 (0.71) ALOX5CYP1A2NR1H4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956867-A For the acrylic ester compound of coating, preparation method and include its coating and purposes 无锡阿科力科技股份有限公司 2019-07-02 CN disclosed
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-5030568-A Bioconversion of naphthalene monomers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-07-09 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed