SCHEMBL28066796

SCHEMBL28066796

N#Cc1c(C(=O)c2ccccc2)cccc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.55
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 3/20 0.50
ATM Q13315 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
CCR6 P51684 1/20 0.47
TLR9 Q9NR96 1/20 0.47
CDC25B P30305 1/20 0.44
SRD5A2 P31213 1/20 0.43
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 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
SCHEMBL2913778 0.89 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL11072642 0.88 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL7979358 0.88 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL19243893 0.88 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL10828176 0.85 AKR1C3 (0.44) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL27347082 0.85 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL1200740 0.80 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL11120199 0.78 NPSR1 (0.47) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL29447165 0.78 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL700595 0.78 AKR1C3 (0.85) AKR1C3GAAMAPTALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590798-A Process for producing cyclobutanetetracarboxylic acid derivative 日产化学工业株式会社 2019-12-20 CN disclosed
CN-110105367-A The manufacturing method of cyclobutane tetracarboxylic acid derivatives 日产化学工业株式会社 2019-08-09 CN disclosed
CN-105916865-B Process for producing cyclobutanetetracarboxylic acid derivative 日产化学工业株式会社 2019-06-25 CN disclosed
CN-105916866-B Process for producing cyclobutanetetracarboxylic acid derivative 日产化学工业株式会社 2018-08-28 CN disclosed
CN-105916865-A Process for producing cyclobutanetetracarboxylic acid derivative 日产化学工业株式会社 2016-08-31 CN disclosed
CN-105916866-A Process for producing cyclobutanetetracarboxylic acid derivative 日产化学工业株式会社 2016-08-31 CN disclosed
CN-105916867-A Process for producing cyclobutanetetracarboxylic acid derivative 日产化学工业株式会社 2016-08-31 CN disclosed