SCHEMBL27616617

SCHEMBL27616617

Nc1ccc(C(=O)OCCCCC(O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MAPT P10636 2/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 4/20 0.64
CYP1A2 P05177 4/20 0.64
CYP3A4 P08684 3/20 0.64
TSHR P16473 3/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 1/20 0.64
PDE4D Q08499 1/20 0.64
CYP2D6 P10635 3/20 0.55
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
CHRM2 P08172 1/20 0.55
HTR1A P08908 1/20 0.55
GAA P10253 1/20 0.55
DRD3 P35462 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL7761956 0.88 LMNA (0.60) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL561945 0.88 NPC1 (0.80) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4345503 0.86 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4334904 0.86 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL2887080 0.86 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL1648609 0.86 TDP1 (0.57) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4329445 0.86 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4557168 0.86 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4558859 0.86 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL17416888 0.86 NPC1 (0.83) NPC1RAB9AMAPTALDH1A1LMNA

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
CN-103781461-A Polyamide compositions for personal care ARIZONA CHEMICAL CO LLC 2014-05-07 CN disclosed
CN-1638718-A Additives and products including oligoesters CRODA INC (US) 2005-07-13 CN disclosed