SCHEMBL7606876

SCHEMBL7606876

CCCCCCCCCCCC(O)[S+]([O-])Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.42
SPHK1 Q9NYA1 2/20 0.42
FFAR1 O14842 2/20 0.42
LMNA P02545 2/20 0.41
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CETP P11597 1/20 0.39
HTT P42858 1/20 0.39
UBE2N P61088 1/20 0.39
CA2 P00918 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL15022829 0.82 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL10424764 0.82 GPR84 (0.45) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL1284372 0.80 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL10586362 0.80 GPR84 (0.43) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL28871111 0.77 GPR84 (0.41) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL6365831 0.76 LMNA (0.38) GPR84SPHK1FFAR1LMNAMAPT
SCHEMBL28138576 0.72 GPR84 (0.48) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL28237635 0.71 FFAR1 (0.64) GPR84SPHK1FFAR1LMNAFFAR4
SCHEMBL11387486 0.70 LMNA (0.41) GPR84SPHK1FFAR1LMNAMAPT
Hexane SCHEMBL7134957 0.69 TSHR (0.50) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265638-A1 COMPOSITIONS FOR TRANSDERMAL AND TRANSMUCOSAL ADMINISTRATION OF THERAPEUTIC AGENTS Pharmaderm Laboratories Ltd. (CA) 2002-12-18 EP disclosed
WO-2001035998-A1 COMPOSITIONS FOR TRANSDERMAL AND TRANSMUCOSAL ADMINISTRATION OF THERAPEUTIC AGENTS PHARMADERM LABORATORIES, LTD. (CA) 2001-05-25 WO disclosed