SCHEMBL7815593

SCHEMBL7815593

O=C(O)CCC(=O)c1cccc2c1oc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ADAM17 P78536 1/20 0.47
▸ ALOX5 P09917 2/20 0.46
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ICMT O60725 1/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL8820480 0.81 ALOX5 (0.48) ALOX5LMNAALDH1A1KMT2AGLA
SCHEMBL783749 0.80 NR4A1 (0.50) ALOX5ALDH1A1GLANR4A2KDM4E
SCHEMBL22645256 0.80 MAPT (0.51) ALOX5ALDH1A1KMT2AGAACYP2C19
SCHEMBL3798516 0.77 ALOX5 (0.57) NPSR1ALOX5LMNAKMT2AKDM4E
SCHEMBL516118 0.76 ALOX5 (0.52) ALOX5LMNAALDH1A1GLAKDM4E
SCHEMBL4586057 0.76 ALOX5 (0.48) ALOX5LMNAALDH1A1KMT2AGLA
SCHEMBL28084237 0.76 ALDH1A1 (0.59) NPSR1ALOX5ALDH1A1KMT2AGLA
SCHEMBL14825579 0.76 ALOX5 (0.48) ALOX5LMNAALDH1A1KMT2AGLA
SCHEMBL20402334 0.75 ALOX5 (0.55) NPSR1ALOX5ALDH1A1KMT2ACYP1A2
Furobufen SCHEMBL30901203 0.74 CYP1A2 (0.58) NPSR1LMNAALDH1A1CYP1A2NR4A2

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
EP-0650480-B1 1-ARYLSULPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMA CORP (US) 2001-11-21 — — EP disclosed
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 — — US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 — — EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 — — WO disclosed
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