SCHEMBL27740943

SCHEMBL27740943

O=C(O)CCC(=O)c1ccccc1.O=C(O)c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.65
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RAB9A P51151 2/20 0.53
FFAR1 O14842 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL7396571 0.90 KMT2A (0.62) NR4A2ALDH1A1GAACYP2C19MEN1
SCHEMBL10791959 0.84 PARP1 (0.63) NR4A2RAB9ACYP1A2ERCC5FEN1
SCHEMBL16865710 0.82 PARP1 (0.65) NR4A2RAB9ACYP1A2ERCC5FEN1
SCHEMBL28134936 0.82 PARP1 (0.65) NR4A2RAB9ACYP1A2ERCC5FEN1
Benzene SCHEMBL28107074 0.82 PARP1 (0.65) NR4A2RAB9ACYP1A2ERCC5FEN1
SCHEMBL38766 0.82 PARP1 (0.65) NR4A2RAB9ACYP1A2ERCC5FEN1
SCHEMBL29360692 0.82 PARP1 (0.65) NR4A2RAB9ACYP1A2ERCC5FEN1
Water SCHEMBL1456948 0.80 PARP1 (0.63) NR4A2RAB9ACYP1A2ERCC5FEN1
Ammonia Solution, Strong SCHEMBL30477652 0.80 PARP1 (0.63) NR4A2RAB9ACYP1A2ERCC5FEN1
SCHEMBL10602066 0.80 PARP1 (0.63) NR4A2RAB9ACYP1A2ERCC5FEN1

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
CN-101421392-A Use of indanoyl amide to stimulate secondary metabolism in taxus sp PHYTON BIOTECH INC (US) 2009-04-29 CN disclosed