SCHEMBL8955406

SCHEMBL8955406

CCCCCOc1cc(C#N)cc(OCCCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.53
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR5A1 Q13285 1/20 0.46
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
LTA4H P09960 2/20 0.44
BLM P54132 1/20 0.43
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
PLA2G4B P0C869 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7926658 0.90 PLA2G2A (0.59) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL9697417 0.84 NR5A1 (0.56) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL8778575 0.83 PLA2G2A (0.49) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL5226337 0.81 PLA2G2A (0.82) PLA2G2AALDH1A1HPGDBLMTP53
SCHEMBL8956013 0.81 TP53 (0.54) PLA2G2AALDH1A1NR5A1CNR1CNR2
SCHEMBL8956129 0.81 CNR2 (0.53) PLA2G2ANR5A1CNR1CNR2BLM
SCHEMBL16962164 0.81 PLA2G2A (0.43) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL593989 0.81 PLA2G2A (0.50) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL5223955 0.80 PLA2G2A (0.61) PLA2G2AALDH1A1HPGDKDM4EHTT
SCHEMBL16951369 0.80 PLA2G2A (0.49) PLA2G2AALDH1A1HPGDKDM4EHTT

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-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed