SCHEMBL27740944

SCHEMBL27740944

COc1ccc(C(=O)CCC(=O)O)cc1F.O=C(O)c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
TTR P02766 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.40
STING1 Q86WV6 1/20 0.39
ACHE P22303 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
SCHEMBL346725 0.83 HTT (0.66) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL9263449 0.76 ALDH1A1 (0.57) HTTRAB9AALDH1A1CYP1A2HPGD
SCHEMBL19287206 0.72 HTT (0.59) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL4495664 0.71 HTT (0.68) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL6580881 0.71 HTT (0.63) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL5729116 0.71 RAB9A (0.63) HTTLMNAMAPK1RAB9AHRH3
SCHEMBL11743831 0.71 USP5 (0.49) LMNARAB9AALDH1A1CYP1A2HPGD
SCHEMBL5313540 0.71 USP5 (0.49) LMNARAB9AALDH1A1CYP1A2HPGD
SCHEMBL1527427 0.71 CTNNB1 (0.73) HRH3ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL29923058 0.71 CTNNB1 (0.73) HRH3ALDH1A1CYP1A2HPGDCYP2C19

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