SCHEMBL9628044

SCHEMBL9628044

O=C1C2=C(C(=O)N1C1CCCC1)C1CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
CREBBP Q92793 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL9493729 0.98 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9626558 0.98 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9626581 0.98 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9705145 0.96 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9706056 0.91 ALDH1A1 (0.35) ALDH1A1KMT2APOLB
SCHEMBL822463 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9593176 0.70 KMT2A (0.33) ALDH1A1KMT2AHSD17B10MAPTALOX15
SCHEMBL1072615 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4267972 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10261468 0.70 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992011646-A1 THERMOPLASTIC NORBORNENE DICARBOXIMIDE POLYMERS USEFUL FOR DIELECTRIC DEVICES MONSANTO COMPANY (US) 1992-07-09 WO claimed
EP-0491672-A2 Hydrogenated cyclic alkyl polymers MONSANTO COMPANY (US) 1992-06-24 EP disclosed
US-5115037-A Hydrogenated metathesis ring-opening polymerization of norbornene dicarboximide polymers resulting in ethylene cyclopentae dicarboximide polymers MONSANTO COMPANY (US) 1992-05-19 US disclosed