SCHEMBL8975628

SCHEMBL8975628

COC(=O)C#COc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CA4 P22748 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
NLRP3 Q96P20 1/20 0.37
KCNN4 O15554 1/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL8975642 0.77 MAPT (0.40) TSHRRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL124863 0.72 NPSR1 (0.55) TSHRRAB9ANPC1KDM4EKMT2A
SCHEMBL8975377 0.72 MTNR1A (0.42) TSHRRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL9421959 0.71 LTA4H (0.50) TSHRTDP1HPGDHSD17B10CA4
SCHEMBL3198121 0.71 TSHR (0.52) TSHRRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL15234422 0.71 ELANE (0.40) TSHRMAPTTDP1HPGDHSD17B10
SCHEMBL28738466 0.70 CES1 (0.45) TSHRMAPTKMT2AMEN1L3MBTL1
SCHEMBL7085752 0.70 CA4 (0.48) TSHRRAB9AMAPTTDP1CA4
SCHEMBL8646869 0.69 ALDH1A1 (0.52) TSHRMAPTTDP1SMN1; SMN2HPGD
SCHEMBL14336915 0.68 KMT2A (0.54) TSHRRAB9AMAPTSMN1; SMN2HPGD

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