SCHEMBL2694596

SCHEMBL2694596

C[N+](C)(C)CCOP(=O)(O)OCCCCCCCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CDC25A P30304 1/20 0.42
AGTR1 P30556 1/20 0.42
AKT1 P31749 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
EPHX1 P07099 1/20 0.40
NAAA Q02083 7/20 0.38
FABP3 P05413 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2696843 1.00 LMNA (0.42) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL2696736 1.00 LMNA (0.42) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL339731 1.00 LMNA (0.42) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL2694433 0.99 S1PR4 (0.41) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL6240605 0.94 SMN1; SMN2 (0.41) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL6241300 0.88 METAP1 (0.38) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL17817569 0.88 LMNA (0.55) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL25311982 0.86 AKT1 (0.60) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL31365417 0.86 AKT1 (0.60) LMNAESR1ADORA3CDC25AAGTR1
SCHEMBL29492658 0.86 AKT1 (0.60) LMNAESR1ADORA3CDC25AAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9606126-B2 Compositions and methods for membrane protein detergent stability screen UNIVERSITY OF VIRGINA PATENT FOUNDATION (US) 2017-03-28 US claimed
US-11740235-B2 Model-membrane-based lipid transfer assays and methods REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2023-08-29 US disclosed
US-20210055294-A1 MODEL-MEMBRANE-BASED LIPID TRANSFER ASSAYS AND METHODS REGENTS OF THE UNIVERSITY OF MINNESOTA 2021-02-25 US disclosed
US-9606126-B2 Compositions and methods for membrane protein detergent stability screen UNIVERSITY OF VIRGINA PATENT FOUNDATION (US) 2017-03-28 US disclosed
US-20170067904-A1 COMPOSITIONS AND METHODS FOR MEMBRANE PROTEIN DETERGENT STABILITY SCREEN UNIV VIRGINIA PATENT FOUNDATION (US) 2017-03-09 US disclosed
US-20120108463-A1 COMPOSITIONS AND METHODS FOR MEMBRANE PROTEIN DETERGENT STABILITY SCREEN UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-03 US disclosed