SCHEMBL10396808

SCHEMBL10396808

C=CCC(CC=C)(C(=O)c1ccccc1)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 3/20 0.41
PHGDH O43175 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8898297 0.91 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ATSHRPHGDH
SCHEMBL8898194 0.86 PHGDH (0.44) ALDH1A1MAPTKMT2ATSHRPHGDH
SCHEMBL9315455 0.86 GSK3B (0.49) ALDH1A1MAPTKMT2ATSHRHPGD
SCHEMBL8898821 0.84 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ATSHRPHGDH
SCHEMBL8899699 0.84 SMN1; SMN2 (0.41) ALDH1A1MAPTKMT2ATSHRPHGDH
SCHEMBL8900790 0.84 SMN1; SMN2 (0.46) ALDH1A1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL8897354 0.83 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ATSHRHPGD
SCHEMBL8899742 0.83 SMN1; SMN2 (0.42) ALDH1A1MAPTKMT2ATSHRHPGD
SCHEMBL8897848 0.83 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ATSHRHPGD
SCHEMBL8897353 0.83 SMN1; SMN2 (0.44) ALDH1A1MAPTKMT2ATSHRPHGDH

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-4943662-A SULPHYDROLYSIS SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) 1990-07-24 US disclosed