SCHEMBL9718526

SCHEMBL9718526

CCCCCCCCCCCCCCCCCC(NC(CCCCCCCCCCCCCCCCC)C(C)O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.48
GPR84 Q9NQS5 7/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 2/20 0.43
OPRM1 P35372 1/20 0.41
CYP2D6 P10635 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL11216600 1.00 SPHK1 (0.48) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL8406237 0.89 FFAR1 (0.45) FFAR1LMNAGMNNPOLBBLM
SCHEMBL18620875 0.84 SPHK1 (0.47) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL23879419 0.82 SPHK1 (0.43) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL10821000 0.82 SPHK1 (0.43) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL18191561 0.82 SPHK1 (0.38) SPHK1GPR84FFAR1LMNACYP2D6
SCHEMBL25735213 0.80 SPHK1 (0.42) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL21086919 0.80 SPHK1 (0.42) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL16290234 0.79 SPHK1 (0.47) SPHK1GPR84FFAR1LMNAOPRM1
SCHEMBL16290270 0.79 SPHK1 (0.47) SPHK1GPR84FFAR1LMNAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267695-B1 COMPOSITION COMPRISING A CARBOXYLIC ACID AND AN AMINE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-08 EP claimed