SCHEMBL9028339

SCHEMBL9028339

[O]CC(=O)N1CCS(=O)(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9028343 0.81 AKR1C3 (0.36) RAB9AALDH1A1KDM4ELMNAHSD17B10
SCHEMBL30063431 0.79 ALDH1A1 (0.50) RAB9AALDH1A1KDM4ELMNAHSD17B10
SCHEMBL20640269 0.79 LMNA (0.43) RAB9AALDH1A1KDM4ELMNAHSD17B10
SCHEMBL5111143 0.79 RAB9A (0.34) RAB9AALDH1A1KDM4ELMNAHSD17B10
SCHEMBL15808531 0.79 CPN1 (0.40) RAB9AALDH1A1KDM4ELMNAHSD17B10
SCHEMBL8418308 0.79 BLM (0.43) RAB9AALDH1A1MEN1KMT2ATDP1
SCHEMBL12424223 0.76 L3MBTL1 (0.47) ALDH1A1KDM4ELMNAHSD17B10ATM
SCHEMBL16659918 0.76 RAB9A (0.36) RAB9AALDH1A1KDM4ELMNAHSD17B10
SCHEMBL12351548 0.76 SIGMAR1 (0.41) ALDH1A1KDM4ELMNAHSD17B10ATM
SCHEMBL15810913 0.75 RAB9A (0.38) RAB9AALDH1A1KDM4ELMNATDP1

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-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed