SCHEMBL7549409

SCHEMBL7549409

C=C/C(=C/C)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
AKR1B1 P15121 1/20 0.43
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
HIF1A Q16665 1/20 0.36
MAOB P27338 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7549410 1.00 CES1 (0.43) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL19004689 0.83 CES1 (0.36) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL21791732 0.81 CES1 (0.41) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL22432863 0.80 CES1 (0.38) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL10791805 0.79 CYP3A4 (0.52) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL20622297 0.78 CES1 (0.43) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL1245527 0.78 CES1 (0.48) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL1245523 0.78 CES1 (0.48) CES1CES2AKR1B1CYP3A4CYP2C9
SCHEMBL18620042 0.77 HTR3E (0.50) CYP3A4ALDH1A1MEN1KMT2AHDAC8
SCHEMBL88389 0.76 CES1 (0.40) CES1CES2AKR1B1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620219-B1 Process for producing sulfolane compounds PHILLIPS PETROLEUM CO (US) 1998-11-11 EP claimed
EP-0620219-A1 Process for producing sulfolane compounds PHILLIPS PETROLEUM COMPANY (US) 1994-10-19 EP claimed
US-5347018-A Freezing point depressants PHILLIPS PETROLEUM COMPANY (US) 1994-09-13 US claimed
US-5290953-A Sulfurization of conjugated diene; catalytic hydrogenation PHILLIPS PETROLEUM COMPANY (US) 1994-03-01 US claimed
EP-1123286-A4 SULFOLANE AND PROCESS THEREFOR PHILLIPS PETROLEUM CO (US) 2002-01-02 EP disclosed
EP-1123286-A1 SULFOLANE AND PROCESS THEREFOR Phillips Petroleum Company (US) 2001-08-16 EP disclosed
WO-2000017189-A1 SULFOLANE AND PROCESS THEREFOR PHILLIPS PETROLEUM COMPANY (US) 2000-03-30 WO disclosed
US-6034254-A REACTIG CONJUGATED DIENE WITH SULFUR DIOXIDE; HYDROGENATION PHILLIPS PETROLEUM COMPANY (US) 2000-03-07 US disclosed
EP-0620219-B1 Process for producing sulfolane compounds PHILLIPS PETROLEUM CO (US) 1998-11-11 EP disclosed
US-5512261-A CIRCULATING LOOP; SPRAYING PHILLIPS PETROLEUM COMPANY (US) 1996-04-30 US disclosed
EP-0620219-A1 Process for producing sulfolane compounds PHILLIPS PETROLEUM COMPANY (US) 1994-10-19 EP disclosed
US-5347018-A Freezing point depressants PHILLIPS PETROLEUM COMPANY (US) 1994-09-13 US disclosed
US-5290953-A Sulfurization of conjugated diene; catalytic hydrogenation PHILLIPS PETROLEUM COMPANY (US) 1994-03-01 US disclosed
US-4256903-A REACTING SULFUR DIOXIDE AND CONJUGATED DIENES IN THE PRESENCE OF A MONO OR DI-ALKENYL AMINE PHILLIPS PETROLEUM COMPANY (US) 1981-03-17 US disclosed