SCHEMBL15344664

SCHEMBL15344664

CC[N+](CC)(CC)Cc1cc(C[N+](CC)(CC)CC)cc(C[N+](CC)(CC)CC)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
KCNA1 Q09470 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PMP22 Q01453 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL26248701 0.84 CYP1A2 (0.38) TSHRKDM4ECYP1A2CHRNB4CHRNA3
Bromide SCHEMBL21293909 0.82 CHRNA7 (0.39) TSHRKDM4ECYP1A2CHRNB4CHRNA3
SCHEMBL4795994 0.81 TSHR (0.41) TSHRNFKB1KCNA1KDM4EPMP22
Hydrochloric Acid SCHEMBL4803008 0.79 KDM4E (0.44) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL19643687 0.75 TSHR (0.41) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL21764053 0.75 PTGS2 (0.61) KDM4E
SCHEMBL22422895 0.75 KDM4E (0.34) TSHRKDM4ECYP1A2CHRNB4CHRNA3
SCHEMBL15504886 0.75 TP53 (0.43) TSHRATM
Benzene SCHEMBL29130108 0.75 KDM4E (0.54) KDM4ECYP1A2CHRNB4CHRNA3CHRNA7
Hydrogen Sulfide SCHEMBL5998579 0.75 KDM4E (0.54) KDM4ECYP1A2CHRNB4CHRNA3CHRNA7

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
CN-108495816-B High charge density metalloaluminophosphate molecular sieves 环球油品公司 2022-05-03 CN claimed
CN-108495816-B High charge density metalloaluminophosphate molecular sieves 环球油品公司 2022-05-03 CN disclosed
US-8933287-B2 Silicometallophosphate molecular sieves, method of preparation and use UOP LLC (US) 2015-01-13 US disclosed
US-8911704-B2 Silicometallophosphate molecular sieves, method of preparation and use UOP LLC (US) 2014-12-16 US disclosed
US-20140206918-A1 SILICOMETALLOPHOSPHATE MOLECULAR SIEVES, METHOD OF PREPARATION AND USE UOP LLC (US) 2014-07-24 US disclosed
US-20140154176-A1 SILICOMETALLOPHOSPHATE MOLECULAR SIEVES, METHOD OF PREPARATION AND USE UOP LLC (US) 2014-06-05 US disclosed
US-8696886-B1 Silicometallophosphate molecular sieves, method of preparation and use UOP LLC (US) 2014-04-15 US disclosed
US-8569557-B1 Silicometallophosphate molecular sieves, method of preparation and use UOP LLC (US) 2013-10-29 US disclosed