SCHEMBL7500360

SCHEMBL7500360

C=CC(=CC)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
PKM P14618 2/20 0.43
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
NLRP1 Q9C000 1/20 0.43
MEN1 O00255 1/20 0.43
NTSR1 P30989 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
TGM2 P21980 1/20 0.41
ACHE P22303 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL21880243 1.00 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL7500354 1.00 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL18789917 0.90 ALDH5A1 (0.37) ALDH1A1LMNATDP1PKMSMN1; SMN2
SCHEMBL18746069 0.82 ALDH1A1 (0.40) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL12786451 0.79 CES2 (0.41) LMNAATMHPGDCES2CES1
SCHEMBL19301051 0.79 CES2 (0.41) CES2CES1TGM2ACHEMAPT
SCHEMBL21689751 0.79 CES2 (0.41) LMNAATMHPGDCES2CES1
SCHEMBL19216109 0.79 ALDH1A1 (0.38) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL1073772 0.78 AKT1 (0.50) ALDH1A1NPSR1LMNATDP1ATM
SCHEMBL1073773 0.78 AKT1 (0.50) ALDH1A1NPSR1LMNATDP1ATM

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