SCHEMBL9835332

SCHEMBL9835332

O=C(O)COc1cc2c(=O)c3c(F)cccc3oc2cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TTR P02766 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
PTPN1 P18031 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
POLB P06746 1/20 0.40
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9836568 0.95 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL9836652 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL9835886 0.80 AKR1C3 (0.57) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL9836783 0.80 PTGDR2 (0.41) ALDH1A1KDM4EHPGDHSD17B10TTR
SCHEMBL9834498 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL9837177 0.76 PTPN1 (0.48) TTRKMT2AMEN1PTPN1PPARG
SCHEMBL9835769 0.75 FHIT (0.52) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL9837040 0.74 LMNA (0.51) TTRKMT2AMEN1PTPN1PPARG
SCHEMBL10534569 0.72 LMNA (0.44) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL6859087 0.71 MAOA (0.60) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175376-B1 XANTHONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Chugai Seiyaku Kabushiki Kaisha (JP) 1991-04-03 EP disclosed
US-4816479-A HYPOTENSIVE AGENTS, DIURETICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed
US-4661607-A ANTIEDEMIC AGENTS, HYPOTENSIVE AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1987-04-28 US disclosed
EP-0175376-A2 Xanthone derivatives and process for producing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1986-03-26 EP disclosed