SCHEMBL459312

SCHEMBL459312

CC1C=C(C(=O)O)C2=CC(Cc3ccccc3)CC2C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL461375 0.64 ATM (0.36) ALDH1A1POLB
SCHEMBL27647151 0.60 NOS1 (0.37) MAPT
SCHEMBL21093634 0.57 GRIN2B (0.44) ALDH1A1
SCHEMBL7033011 0.57 ALDH1A1 (0.46) ABCB1ALDH1A1
SCHEMBL13971270 0.57 ALDH1A1 (0.46) ABCB1ALDH1A1
SCHEMBL7565494 0.57 GBA1 (0.45) POLB
SCHEMBL23467257 0.56 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4609517 0.56 GBA1 (0.50)
SCHEMBL7810455 0.56 GRIN2B (0.46)
SCHEMBL8979913 0.56 CA1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595972-A1 TRICYCLIC LACTONES FOR TREATMENT OF CANCER Glactone Pharma Development AB (SE) 2013-05-29 EP disclosed
WO-2012010555-A1 TRICYCLIC LACTONES FOR TREATMENT OF CANCER PARTNERS FÖR UTVECKLINGSINVESTERINGAR INOM LIFE SCIENCES, P.U.L.S. AB (SE) 2012-01-26 WO disclosed