SCHEMBL14780223

SCHEMBL14780223

CC(CCCCC(C)OS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PSIP1 O75475 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 7/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
PARL Q9H300 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL14779516 0.98 ALDH1A1 (0.42) SMN1; SMN2PSIP1MAPK1ALDH1A1CYP1A2
SCHEMBL14779544 0.98 ALDH1A1 (0.42) SMN1; SMN2PSIP1MAPK1ALDH1A1CYP1A2
SCHEMBL14778334 0.96 SMN1; SMN2 (0.41) SMN1; SMN2PSIP1MAPK1ALDH1A1CYP1A2
SCHEMBL14779840 0.93 ALDH1A1 (0.47) SMN1; SMN2PSIP1ALDH1A1KDM4ETSHR
SCHEMBL14779000 0.92 PSIP1 (0.43) SMN1; SMN2PSIP1MAPK1ALDH1A1CYP1A2
SCHEMBL27631435 0.92 ALDH1A1 (0.49) SMN1; SMN2PSIP1ALDH1A1KDM4ETSHR
SCHEMBL9151537 0.92 ALDH1A1 (0.49) SMN1; SMN2PSIP1ALDH1A1KDM4ETSHR
SCHEMBL14778762 0.92 ALDH1A1 (0.49) SMN1; SMN2PSIP1ALDH1A1KDM4ETSHR
SCHEMBL8169996 0.92 ALDH1A1 (0.49) SMN1; SMN2PSIP1ALDH1A1KDM4ETSHR
SCHEMBL10904252 0.92 ALDH1A1 (0.49) SMN1; SMN2PSIP1ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed