SCHEMBL8323967

SCHEMBL8323967

COC(=O)c1cc2c(OCc3ccccc3)ccc(C)c2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.50
FFAR4 Q5NUL3 1/20 0.48
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
SRD5A1 P18405 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
RHEB Q15382 1/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 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
SCHEMBL20605051 0.87 SRD5A2 (0.49) SRD5A2FFAR4SMPD1HDAC1HDAC8
SCHEMBL20604836 0.87 SRD5A2 (0.49) SRD5A2FFAR4SMPD1HDAC1HDAC8
SCHEMBL20597207 0.87 SRD5A2 (0.49) SRD5A2FFAR4SMPD1HDAC1HDAC8
SCHEMBL8318131 0.84 GAA (0.44) ALDH1A1HPGDRAB9AMAPTGLA
SCHEMBL30396083 0.82 RHEB (0.47) SRD5A2FFAR4SMPD1HDAC1HDAC8
SCHEMBL8322158 0.81 GLA (0.42) SMPD1HDAC1HDAC8HDAC6TSHR
SCHEMBL8320971 0.81 KDM4E (0.59) ALDH1A1TSHRHSD17B10HPGDLMNA
SCHEMBL6595625 0.81 SRD5A2 (0.77) SRD5A2SMPD1HDAC1HDAC8HDAC6
SCHEMBL7879779 0.80 FFAR4 (0.47) SRD5A2FFAR4ALDH1A1HPGDLMNA
SCHEMBL8323411 0.80 GAA (0.41) HPGDMAPTGLAGAAKDM4E

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
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 EP disclosed