SCHEMBL9117344

SCHEMBL9117344

Nc1cc(Cl)ccc1C(=O)Oc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.52
ABL1 P00519 1/20 0.51
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DYRK1A Q13627 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
AVPR1A P37288 2/20 0.37
GSK3B P49841 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9117908 0.82 TDO2 (0.44) GPR84KDM4ESLC22A6
SCHEMBL9118871 0.79 NR4A2 (0.52) NR4A2F7F3GPR84
SCHEMBL1614860 0.77 SLC22A6 (0.62) NR4A2F7F3GPR84ALDH1A1
SCHEMBL27920534 0.76 KMT2A (0.53) NR4A2RAB9AESR1ESR2ALDH1A1
SCHEMBL9012528 0.75 NR4A2 (0.54) NR4A2F7F3GPR84ALDH1A1
SCHEMBL27591784 0.74 NR4A2 (0.52) NR4A2F7F3GPR84ALDH1A1
SCHEMBL9300226 0.73 NR4A2 (0.51) NR4A2F7F3GPR84SLC22A6
SCHEMBL9116154 0.72 SLC22A6 (0.59) NR4A2GPR84ALDH1A1KDM4ESLC22A6
SCHEMBL4556456 0.72 NR4A2 (0.73) NR4A2F7F3GPR84ALDH1A1
SCHEMBL29051233 0.70 GPR84 (0.55) NR4A2F7F3GPR84ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed
WO-1995034657-A2 MICROBIAL PRODUCTION OF 4-, 5-, 6- AND 7-SUBSTITUTED INDOLE AND TRYPTOPHAN ANALOGS VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed