SCHEMBL9579709

SCHEMBL9579709

CCCc1cc(C(=O)OCC)ccc1OCCCCCCc1cccc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B2 P37059 1/20 0.43
PPARA Q07869 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SMPD1 P17405 3/20 0.40

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
SCHEMBL9579690 0.90 LMNA (0.47) LTB4RLTB4R2LMNAMAPTSMN1; SMN2
SCHEMBL9510377 0.90 LTB4R (0.55) LTB4RLTB4R2PPARA
SCHEMBL9508038 0.80 PPARA (0.52) LTB4RLTB4R2PPARA
SCHEMBL9696967 0.79 LTB4R (0.64) LTB4RLTB4R2SMN1; SMN2NPC1RAB9A
SCHEMBL9016876 0.76 HDAC6 (0.59) MAPTHDAC6NPC1RAB9ASMPD1
SCHEMBL11245624 0.74 THRA (0.62) SMN1; SMN2HSD17B2HDAC6NPC1RAB9A
SCHEMBL29171427 0.74 THRA (0.62) SMN1; SMN2HSD17B2HDAC6NPC1RAB9A
SCHEMBL2308139 0.74 THRA (0.62) SMN1; SMN2HSD17B2HDAC6NPC1RAB9A
SCHEMBL29171428 0.74 THRA (0.62) SMN1; SMN2HSD17B2HDAC6NPC1RAB9A
SCHEMBL29171425 0.74 THRA (0.62) SMN1; SMN2HSD17B2HDAC6NPC1RAB9A

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
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
US-5025036-A Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-06-18 US disclosed