SCHEMBL7548100

SCHEMBL7548100

CCCCCC(O)C(CC)CCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.52
LMNA P02545 3/20 0.50
CYP2D6 P10635 2/20 0.48
GMNN O75496 1/20 0.48
POLB P06746 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CETP P11597 1/20 0.48
HTT P42858 1/20 0.48
UBE2N P61088 1/20 0.48
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 1/20 0.41
OPRM1 P35372 1/20 0.39
FDPS P14324 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
SCHEMBL14125763 0.98 SPHK1 (0.50) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL3132169 0.98 SPHK1 (0.56) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL1561246 0.98 SPHK1 (0.56) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL8365169 0.95 SPHK1 (0.54) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL27580728 0.93 LMNA (0.54) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL7731395 0.93 LMNA (0.60) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL20298375 0.92 SPHK1 (0.54) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL11675403 0.91 SPHK1 (0.54) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL20298390 0.90 SPHK1 (0.46) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL11423021 0.89 LMNA (0.45) SPHK1LMNACYP2D6GMNNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746552-B1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN SA (CH) 2002-06-12 EP disclosed
EP-0746552-A1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP disclosed
WO-1996020185-A2 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-07-04 WO disclosed