SCHEMBL8102853

SCHEMBL8102853

CCCCCCCCCC(=O)Nc1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.60
SPHK1 Q9NYA1 1/20 0.60
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.56
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DRD2 P14416 2/20 0.50
DRD3 P35462 1/20 0.50
CETP P11597 1/20 0.49
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC3 O15379 4/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL4410319 0.83 DRD2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL34461886 0.83 DRD2 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5476500 0.82 ALDH1A1 (0.57) SPHK2SPHK1ALDH1A1NPC1RAB9A
SCHEMBL27014631 0.80 CYP1A2 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5142086 0.78 GRIK1 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5476369 0.77 ALDH1A1 (0.57) SPHK2SPHK1ALDH1A1NPC1RAB9A
SCHEMBL10532324 0.76 GPR84 (0.51) DRD2DRD3
SCHEMBL17817588 0.75 SPHK2 (1.00) SPHK2SPHK1ALDH1A1NPC1RAB9A
SCHEMBL4413986 0.75 MTNR1A (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31487774 0.75 MTNR1A (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3008195-B2 2000-02-14 JP claimed
EP-0310622-A1 ANTI-INFLAMMATORY COMPOSITIONS. ALDER RES CENTER CORP (US) 1989-04-12 EP claimed
WO-1987007599-A2 ANTI-INFLAMMATORY COMPOSITIONS ALDER RESEARCH CENTER CORPORATION (US) 1987-12-17 WO claimed
EP-0310622-A1 ANTI-INFLAMMATORY COMPOSITIONS. ALDER RES CENTER CORP (US) 1989-04-12 EP disclosed
WO-1987007599-A2 ANTI-INFLAMMATORY COMPOSITIONS ALDER RESEARCH CENTER CORPORATION (US) 1987-12-17 WO disclosed