SCHEMBL9626558

SCHEMBL9626558

O=C1C2=C(C(=O)N1C1CCCCCCC1)C1CCC2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
CREBBP Q92793 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 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
SCHEMBL9626581 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9493729 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9628044 0.98 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9705145 0.94 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9706056 0.89 ALDH1A1 (0.35) ALDH1A1KMT2APOLB
SCHEMBL10261468 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL10260482 0.72 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL11129874 0.71 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL7559836 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL9626321 0.71 ALDH1A1 (0.50) 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 8 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
US-5117327-A Conductors, thermoplastic MONSANTO COMPANY (US) 1992-05-26 US claimed
WO-1992011646-A1 THERMOPLASTIC NORBORNENE DICARBOXIMIDE POLYMERS USEFUL FOR DIELECTRIC DEVICES MONSANTO COMPANY (US) 1992-07-09 WO disclosed
WO-1992011646-A1 THERMOPLASTIC NORBORNENE DICARBOXIMIDE POLYMERS USEFUL FOR DIELECTRIC DEVICES MONSANTO COMPANY (US) 1992-07-09 WO disclosed
EP-0491672-A2 Hydrogenated cyclic alkyl polymers MONSANTO COMPANY (US) 1992-06-24 EP disclosed
US-5117327-A Conductors, thermoplastic MONSANTO COMPANY (US) 1992-05-26 US disclosed
US-5117327-A Conductors, thermoplastic MONSANTO COMPANY (US) 1992-05-26 US 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