SCHEMBL9749326

SCHEMBL9749326

CCOC(=O)Oc1cc2c(C=O)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SRD5A2 P31213 1/20 0.40
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 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
SCHEMBL10926127 0.87 L3MBTL1 (0.42) KDM4ELMNAALDH1A1SRD5A2MAPT
SCHEMBL9749890 0.86 MAPT (0.47) KDM4ELMNAALDH1A1MAPTPOLB
SCHEMBL10510005 0.84 SRD5A2 (0.43) KDM4ELMNAALDH1A1SRD5A2GABRA1
SCHEMBL9749856 0.82 TRPM8 (0.45) KDM4ESRD5A2GABRA1GABRG2GABRB3
SCHEMBL27251939 0.81 MAPT (0.45) KDM4ELMNASRD5A2MAPTERN1
SCHEMBL10924754 0.80 ALDH1A1 (0.40) KDM4ELMNAALDH1A1MAPTRAB9A
SCHEMBL10925785 0.79 SRD5A2 (0.46) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL11290618 0.79 SRD5A2 (0.46) KDM4ELMNASRD5A2MAPTERN1
SCHEMBL10508275 0.79 SRD5A2 (0.57) KDM4EALDH1A1SRD5A2MAPTPOLB
SCHEMBL9749833 0.79 SRD5A2 (0.39) LMNAALDH1A1SRD5A2GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266349-B1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-18 EP disclosed
EP-0266349-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES. SCHERING AG (DE) 1988-05-11 EP disclosed
WO-1987000522-A1 TRICYCLIC INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS MEDICINES SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1987-01-29 WO disclosed
EP-0062919-B1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1986-07-30 EP disclosed
EP-0062919-A1 Indole derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1982-10-20 EP disclosed