SCHEMBL11635573

SCHEMBL11635573

O=C(Cc1cccc2cc3ccccc3cc12)OC(=O)Cc1cccc2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
SIRT5 Q9NXA8 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
ATM Q13315 1/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 1/20 0.41
CYP1A2 P05177 2/20 0.40
HTT P42858 1/20 0.40
GLA P06280 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
SCHEMBL590845 0.84 TDP1 (0.67) L3MBTL1TDP1SIRT5KDM4EALDH1A1
SCHEMBL29706153 0.82 TDP1 (0.70) TDP1KDM4EALDH1A1GAACYP2C19
SCHEMBL1629133 0.82 TDP1 (0.70) TDP1KDM4EALDH1A1GAACYP2C19
SCHEMBL1567996 0.82 TDP1 (0.50) L3MBTL1TDP1SIRT5KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL21246670 0.82 TDP1 (0.65) L3MBTL1TDP1SIRT5KDM4EALDH1A1
SCHEMBL28879878 0.81 TDP1 (0.46) L3MBTL1TDP1SIRT5KDM4EALDH1A1
SCHEMBL26628647 0.81 TDP1 (0.49) L3MBTL1TDP1SIRT5KDM4EALDH1A1
Water SCHEMBL27719689 0.81 TDP1 (0.68) TDP1KDM4EALDH1A1GAACYP2C19
SCHEMBL28972751 0.81 TDP1 (0.68) TDP1KDM4EALDH1A1GAACYP2C19
SCHEMBL11084466 0.79 TDP1 (0.40) L3MBTL1TDP1SIRT5KDM4EALDH1A1

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
US-4117239-A PROCESS FOR PREPARATION OF 2-ANTHRYL AND SUBSTITUTED 2-ANTHRYL FUNCTIONAL MONOMERS AND POLYMERS XEROX CORPORATION (US) 1978-09-26 US disclosed