SCHEMBL4781395

SCHEMBL4781395

O=C(O)COc1ccc(CCl)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ FFAR1 O14842 1/20 0.55
▸ TBXAS1 P24557 3/20 0.54
▸ PTPN7 P35236 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PTPN12 Q05209 1/20 0.53
▸ TSHR P16473 2/20 0.50
▸ PPARD Q03181 2/20 0.50
▸ PPARG P37231 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ PPARA Q07869 1/20 0.48
▸ TBXA2R P21731 1/20 0.48

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
SCHEMBL339492 0.85 ALOX15 (0.81) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7
SCHEMBL14546296 0.82 MEN1 (0.47) TBXAS1MEN1MAPTKMT2A
SCHEMBL13772574 0.82 MAOB (0.44) ALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL166364 0.82 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1TBXAS1
SCHEMBL9832704 0.82 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1TBXAS1
SCHEMBL2642068 0.82 ALOX15 (0.63) ALOX15ALDH1A1SMN1; SMN2FFAR1TBXAS1
SCHEMBL8373906 0.80 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1TBXAS1
SCHEMBL1249954 0.80 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1TBXAS1
SCHEMBL10399496 0.80 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1TBXAS1
SCHEMBL2336059 0.80 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 — — WO disclosed
US-5180730-A Pyridylthiomethyl-Substituted Phenols, Antianaphylactic Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-01-19 — — US disclosed
US-4965260-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1990-10-23 — — US disclosed
US-4933348-A MEDICINES; ANTAGONISTS OF SLOW REACTING SUBSTANCE OF ANAPHYLAXIS; PROPHYLAXIS AND TREATMENT OF ALLERGIC DISEASES MASE TOSHIYASU (JP) 1990-06-12 — — US disclosed
US-4803211-A Thiadizazole compounds as antagonists of SRS-A YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-02-07 — — US disclosed
EP-0278911-A1 Bicyclic beta-lactam carboxylic acids CIBA-GEIGY AG (CH) 1988-08-17 — — EP disclosed
EP-0214732-A2 (Substituted benzyl)-thio heterocyclic compounds having a leukotriene-antagonist activity YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-03-18 — — EP disclosed
US-4461905-A THROMBOXANE SYNTHETASE INHIBITOR INTERMEDIATE ONO PHARMACEUTICAL CO., LTD. (JP) 1984-07-24 — — US disclosed
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