SCHEMBL20004434

SCHEMBL20004434

COc1cccc2c1C(C)(C)Cc1oc3ccccc3c1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
CYP3A4 P08684 5/20 0.49
MAPT P10636 5/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 3/20 0.49
CYP2C19 P33261 3/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 2/20 0.49
GMNN O75496 1/20 0.49
RAF1 P04049 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL29963109 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL898742 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL898463 0.68 NPC1 (0.50) ALDH1A1CYP3A4MAPTRAB9AHPGD
SCHEMBL11821359 0.68 PRMT1 (0.50) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL17434684 0.67 MAOA (0.48) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL20004974 0.67 MIF (0.52) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL29504929 0.66 HPGD (1.00) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL157826 0.66 HPGD (1.00) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL253522 0.65 HPGD (0.78) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL896578 0.65 KDM4E (0.63) ALDH1A1MEN1KMT2ACYP3A4MAPT

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
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed