SCHEMBL5597152

SCHEMBL5597152

C=Cc1ccccc1OCC=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
CTSL P07711 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL3659231 0.84 HPGD (0.66) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL16339283 0.84 ALDH1A1 (0.73) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL9836159 0.84 CDK4 (0.49) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL9836151 0.84 CDK4 (0.49) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL10509104 0.80 LIG1 (0.53) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL8025735 0.78 HPGD (0.46) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL14030730 0.78 ALDH1A1 (0.69) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8025732 0.78 HPGD (0.46) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL3793697 0.78 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2TSHR
SCHEMBL4384402 0.78 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019175025-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 WO disclosed
EP-1215254-B1 Radiation-curable organopolysiloxane composition SHINETSU CHEMICAL CO (JP) 2007-08-29 EP disclosed