SCHEMBL8901445

SCHEMBL8901445

C=CCC(CC=C)(C(=O)c1ccccc1SC)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 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
SCHEMBL218736 0.80 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2TSHRMAPK1
SCHEMBL29686523 0.80 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2TSHRMAPK1
SCHEMBL10396808 0.79 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2TSHRMAPK1
SCHEMBL8897848 0.79 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2TSHRMAPK1
SCHEMBL10679589 0.77 LMNA (0.42) ALDH1A1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL96865 0.77 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2TSHRMAPK1
SCHEMBL8898210 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL8899759 0.74 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2TSHRMAPK1
SCHEMBL8898194 0.72 PHGDH (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL9315455 0.72 GSK3B (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A

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-5698285-A PHOTOCURABLE THREE BOND CO., LTD. (JP) 1997-12-16 US disclosed