SCHEMBL8991603

SCHEMBL8991603

CCCC(=O)OCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
TOP2A P11388 2/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP3A4 P08684 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 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
SCHEMBL5410967 0.81 MTNR1A (0.49) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28084519 0.81 ALDH1A1 (0.50) LMNAMTNR1AMTNR1BSIGMAR1
SCHEMBL9681177 0.81 TSHR (0.46) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28008271 0.81 TSHR (0.46) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28633131 0.80 SMN1; SMN2 (0.51) SMN1; SMN2TOP2AMTNR1AMTNR1BCYP3A4
SCHEMBL2342436 0.80 HRH1 (0.48) TDP1SMN1; SMN2MTNR1AMTNR1BSIGMAR1
SCHEMBL2342435 0.80 MTNR1A (0.49) TDP1SMN1; SMN2MTNR1AMTNR1BSIGMAR1
SCHEMBL19792371 0.80 NPC1 (0.47) TDP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9773152 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL9773153 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNATSHR

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
US-5589501-A TREATMENT OF NEUROLOGICAL DISEASES, ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC AND ANTIEMETIC AGENT ELI LILLY AND COMPANY (US) 1996-12-31 US disclosed