SCHEMBL9794697

SCHEMBL9794697

Cc1ccc(C=C2C(=O)COC2=O)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.57
KMT2A Q03164 13/20 0.57
ALDH1A1 P00352 11/20 0.57
HPGD P15428 6/20 0.57
NPSR1 Q6W5P4 2/20 0.57
THRB P10828 1/20 0.57
RECQL P46063 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 7/20 0.48
POLB P06746 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
NPC1 O15118 3/20 0.48
MAPK1 P28482 2/20 0.48
TNFRSF1A P19438 1/20 0.48
RAB9A P51151 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
HCRTR1 O43613 1/20 0.43

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
SCHEMBL9794719 0.82 ALDH1A1 (0.37) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL9794721 0.82 ALDH1A1 (0.37) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL9794704 0.82 KMT2A (0.49) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL9794726 0.82 KMT2A (0.49) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL9794717 0.81 MAPT (0.41) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL9794727 0.78 DAO (0.39) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL9794712 0.77 HDAC3 (0.42) MAPTALDH1A1HPGDNPSR1TDP1
SCHEMBL9794715 0.77 HDAC3 (0.42) MAPTALDH1A1HPGDNPSR1TDP1
SCHEMBL9794708 0.73 MAPT (0.53) MAPTKMT2AALDH1A1HPGDNPSR1
SCHEMBL10743231 0.72 KDM4E (0.49) MAPTKMT2AALDH1A1TDP1MEN1

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-4996227-A Administering nontoxic antitumor agents UNIVERSITY OF CINCINNATI (US) 1991-02-26 US disclosed