SCHEMBL9872290

SCHEMBL9872290

CCCCCCCCOC(=O)C=Cc1ccccc1C1C=C(C(=O)OCC)NC(C(=O)OCC)=C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
NR1I2 O75469 1/20 0.48
PGR P06401 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2C9 P11712 1/20 0.48
SLC6A2 P23975 1/20 0.48
TBXAS1 P24557 1/20 0.48
CYP2C19 P33261 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
APP P05067 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL9680043 0.83 LMNA (0.70) HTTLMNANR1I2PGRCYP3A4
SCHEMBL9680050 0.83 LMNA (0.70) HTTLMNANR1I2PGRCYP3A4
SCHEMBL9871117 0.78 HTT (0.57) HTTLMNANR1I2PGRCYP3A4
SCHEMBL9871126 0.78 HTT (0.57) HTTLMNANR1I2PGRCYP3A4
SCHEMBL9681553 0.77 SLC6A2 (0.58) HTTLMNANR1I2PGRCYP3A4
Hydrochloric Acid SCHEMBL9681547 0.76 SLC6A2 (0.58) HTTLMNANR1I2PGRCYP3A4
Hydrochloric Acid SCHEMBL9681550 0.76 SLC6A2 (0.58) HTTLMNANR1I2PGRCYP3A4
SCHEMBL5174853 0.75 APP (0.55) HTTLMNACYP3A4APPSMN1; SMN2
SCHEMBL19359034 0.73 APP (0.62) LMNAAPPSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7771761 0.73 APP (0.62) LMNAAPPSMN1; SMN2ALDH1A1KDM4E

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
US-5011848-A Cardiovascular disorders, hypotensive agents GLAXO, S.P.A. (IT) 1991-04-30 US disclosed