SCHEMBL8975642

SCHEMBL8975642

CCC(=O)C#COc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 6/20 0.39
ELANE P08246 1/20 0.39
TSHR P16473 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 3/20 0.36
MMP1 P03956 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36

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
SCHEMBL28738466 0.81 CES1 (0.45) MAPTL3MBTL1TSHRCES2CES1
SCHEMBL8975628 0.77 TSHR (0.45) MAPTSMN1; SMN2L3MBTL1LMNARAB9A
SCHEMBL2123773 0.72 NPSR1 (0.55) MAPTSMN1; SMN2L3MBTL1RAB9ANPC1
SCHEMBL10534542 0.71 CHRNB2 (0.39) L3MBTL1TSHRALDH1A1
SCHEMBL9421959 0.71 LTA4H (0.50) RECQLL3MBTL1ALOX15LMNATSHR
SCHEMBL15234422 0.71 ELANE (0.40) MAPTL3MBTL1ALOX15LMNAELANE
SCHEMBL8467278 0.69 ELANE (0.70) MAPTSMN1; SMN2RECQLL3MBTL1LMNA
SCHEMBL6572639 0.69 LTA4H (0.42) MAPTL3MBTL1LMNATSHRTDP1
Diphenylether SCHEMBL8533552 0.69 LTA4H (0.57) SMN1; SMN2ALOX15RAB9ATSHRNPC1
SCHEMBL8029428 0.68 LTA4H (0.38) LMNATSHR

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
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed