SCHEMBL8317100

SCHEMBL8317100

CNCC(O)c1ccc(OCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
HIF1A Q16665 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
THPO P40225 2/20 0.46
BLM P54132 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTR1A P08908 1/20 0.46
NMUR2 Q9GZQ4 1/20 0.46
CYP2C9 P11712 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
PTPN1 P18031 3/20 0.46
ADRB2 P07550 3/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44

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
SCHEMBL11577699 0.81 ALDH1A1 (0.56) TDP1HIF1AKDM4EALDH1A1THPO
SCHEMBL8958894 0.81 CNR1 (0.53) ALDH1A1SMN1; SMN2LMNAPTPN1PSEN1
SCHEMBL9772363 0.80 RAB9A (0.52) KDM4EALDH1A1PTPN1PSEN1PSEN2
SCHEMBL18746067 0.77 PTPN1 (0.46) ALDH1A1SMN1; SMN2PTPN1PSEN1PSEN2
SCHEMBL8713627 0.77 PSEN1 (0.55) ALDH1A1SMN1; SMN2LMNAPTPN1PSEN1
SCHEMBL6970962 0.77 PTPN1 (0.44) ALDH1A1SMN1; SMN2PTPN1PSEN1PSEN2
SCHEMBL8379178 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP2C9LMNAADRB2
SCHEMBL8379183 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP2C9LMNAADRB2
SCHEMBL198467 0.76 PTPN1 (0.60) SMN1; SMN2CYP2C9LMNAPTPN1PSEN1
SCHEMBL111936 0.76 ALDH1A1 (0.66) TDP1ALDH1A1SMN1; SMN2LMNAPTPN1

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-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed