SCHEMBL9689458

SCHEMBL9689458

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CC(=O)Cl)O2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PDE4A P27815 1/20 0.60
PDE3A Q14432 1/20 0.60
TTPA P49638 3/20 0.50
ALOX5 P09917 3/20 0.49
GSTO1 P78417 2/20 0.45
PTPN1 P18031 1/20 0.45
PSEN1 P49768 6/20 0.43
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL11703489 1.00 MEN1 (0.60) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11703482 1.00 MEN1 (0.60) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11705132 0.89 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11706067 0.89 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11706578 0.89 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL10346399 0.87 MEN1 (0.46) MEN1KMT2APDE4APDE3AALOX5
SCHEMBL9075119 0.86 MEN1 (0.59) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL14168733 0.86 MEN1 (0.64) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8376060 0.86 MEN1 (0.64) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL8540273 0.85 MEN1 (0.58) MEN1KMT2APDE4APDE3ATTPA

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
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
US-4026907-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 US disclosed