SCHEMBL10879784

SCHEMBL10879784

COC(=O)c1cc2c(cc1OCc1ccccc1)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.52
FFAR4 Q5NUL3 1/20 0.49
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXRA P19793 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNA7 P36544 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL2888586 0.88 MAPT (0.49) MAPTHPGDALDH1A1KDM4EFFAR4
SCHEMBL10880568 0.86 MAOA (0.58) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL10879509 0.84 FAAH (0.46) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL24983869 0.83 LMNA (0.56) HPGDKDM4ELMNAFFAR4SMN1; SMN2
SCHEMBL10947765 0.83 ALDH1A1 (0.46) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL10879814 0.83 ALDH1A1 (0.46) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL23731587 0.81 HPGD (0.55) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL11563262 0.80 MAOB (0.56) HPGDALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL384872 0.80 MAOB (0.56) MAPTHPGDKDM4ELMNAFFAR4
SCHEMBL21327288 0.80 LMNA (0.52) MAPTHPGDLMNAFFAR4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109815-B1 IMPROVEMENTS IN AND RELATING TO SUBSTITUTED TETRAHYDRONA PHTHALENES ELI LILLY AND COMPANY (US) 1986-05-28 EP disclosed
US-4500545-A HYPOTENSIVE, ANTISECRETORY AGENTS, AND DOPAMINE ANTAGONIST ELI LILLY AND COMPANY (US) 1985-02-19 US disclosed
EP-0109815-A1 Improvements in and relating to substituted tetrahydrona phthalenes ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4448990-A Hydroxyaminotetralincarboxamides ELI LILLY AND COMPANY (US) 1984-05-15 US disclosed