SCHEMBL7969817

SCHEMBL7969817

CCOC(=O)C1CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
HTR2C P28335 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
HPGD P15428 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
SCHEMBL642571 0.87 ATM (0.43) ALDH1A1KDM4EATMNPSR1POLB
SCHEMBL7959820 0.84 TDP1 (0.48) ALDH1A1KDM4EMAPTPOLBGAA
SCHEMBL7959825 0.84 TDP1 (0.48) ALDH1A1KDM4EMAPTPOLBGAA
SCHEMBL7971103 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTNPSR1POLB
SCHEMBL7971105 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTNPSR1POLB
SCHEMBL640221 0.82 MEN1 (0.56) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL16708942 0.82 ESR2 (0.52) ALDH1A1KDM4EMAPTPOLBGAA
SCHEMBL21065269 0.82 ESR2 (0.52) ALDH1A1KDM4EMAPTPOLBGAA
SCHEMBL9195822 0.81 MEN1 (0.51) ALDH1A1MAPTNPSR1POLBMEN1
SCHEMBL26580345 0.81 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1POLBGAA

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
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed