SCHEMBL7654887

SCHEMBL7654887

NC(=O)C1(c2cccc(Sc3ccc(F)cc3)c2)CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.68
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42
PIK3CD O00329 1/20 0.35
THRB P10828 1/20 0.35
OPRL1 P41146 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL332226 0.86 ALOX5 (0.66) ALOX5PIK3CDALDH1A1LMNANPSR1
SCHEMBL333261 0.84 ALOX5 (0.58) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL8166180 0.82 ALOX5 (0.67) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL7656075 0.82 ALOX5 (0.69) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL2702973 0.82 ALOX5 (0.50) ALOX5PIK3CDOPRL1ALDH1A1LMNA
SCHEMBL7809017 0.81 ALOX5 (1.00) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL13201380 0.81 ALOX5 (0.58) ALOX5PIK3CDALDH1A1LMNATSHR
Pf-4191834 SCHEMBL29369341 0.80 ALOX5 (0.81) ALOX5PIK3CDHRH3
Pf-4191834 SCHEMBL332973 0.80 ALOX5 (0.81) ALOX5PIK3CDHRH3
SCHEMBL7653236 0.79 ALOX5 (0.68) ALOX5PIK3CDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239285-B1 REACTING A TETRAHYDRO-4-(3-(4-FLUOROPHENYL)THIO)PHENYL-2H-PYRAN-4-CARBOXA MIDE WITH HETEROCYCLE RING PFIZER INC 2001-05-29 US claimed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP claimed
US-6346624-B1 ENZYME INHIBITORS FORMED BY DEHYDROHALOGENATION PFIZER INC 2002-02-12 US disclosed
US-6346624-B1 ENZYME INHIBITORS FORMED BY DEHYDROHALOGENATION PFIZER INC 2002-02-12 US disclosed
US-6344563-B1 SULFIDING, DEHYDROHALOGENATION, FORMATION OF BOND BETWEEN CARBON AND NITROGEN NORRIS TIMOTHY (US) 2002-02-05 US disclosed
US-6239285-B1 REACTING A TETRAHYDRO-4-(3-(4-FLUOROPHENYL)THIO)PHENYL-2H-PYRAN-4-CARBOXA MIDE WITH HETEROCYCLE RING PFIZER INC 2001-05-29 US disclosed
CN-1291609-A Method of preparing 5-lipoxidase inhibitor possessing different heterocyclic ring system PFIZER PROD INC (US) 2001-04-18 CN disclosed
JP-2001106682-A PRODUCTION OF 5-LIPOXYGENASE INHIBITOR HAVING VARIOUS HETEROCYCLIC RING SYSTEMS PFIZER PROD INC 2001-04-17 JP disclosed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081146-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081144-A2 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
EP-1081143-A1 Process for making 5-lipoxygenase inhibitors having varied heterocyclic ring systems Pfizer Products Inc. (US) 2001-03-07 EP disclosed
CN-1286250-A Method for preparing 5-lipooxygenase inhibitor having changeable heterocycle system PFIZER PROD INC (US) 2001-03-07 CN disclosed