SCHEMBL11849469

SCHEMBL11849469

CC(C)=CCSC1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.38
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL11848276 0.84 ALDH1A1 (0.49) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11853207 0.74 ALDH1A1 (0.49) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11855696 0.73 ALDH1A1 (0.48) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11855826 0.73 ALDH1A1 (0.62) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11857263 0.72 ALDH1A1 (0.47) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11858457 0.70 GAA (0.45) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11848595 0.69 ALDH1A1 (0.50) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11851358 0.69 ALDH1A1 (0.50) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11854307 0.68 ALDH1A1 (0.53) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1
SCHEMBL11856158 0.68 ALDH1A1 (0.49) ALDH1A1MAPTPOLBSMN1; SMN2L3MBTL1

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
US-3943176-A PLANT GROWTH REGULATOR THE DOW CHEMICAL COMPANY (US) 1976-03-09 US claimed
US-3943176-A PLANT GROWTH REGULATOR THE DOW CHEMICAL COMPANY (US) 1976-03-09 US disclosed