SCHEMBL16093752

SCHEMBL16093752

CCCn1c2ccc(O)cc2c2cc(CC=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HTT P42858 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ WEE1 P30291 1/20 0.42
▸ PGR P06401 2/20 0.40
▸ GAA P10253 4/20 0.40
▸ RORC P51449 3/20 0.40
▸ RORA P35398 2/20 0.40
▸ RORB Q92753 2/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ CNR2 P34972 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
SCHEMBL16093698 0.84 ALDH1A1 (0.58) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16097572 0.83 ALDH1A1 (0.44) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16099561 0.83 KDM4E (0.47) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16099757 0.81 PTGER4 (0.54) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL16099114 0.80 ALDH1A1 (0.42) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16093634 0.79 MAPT (0.53) LMNAMAPTCNR2MEN1KMT2A
SCHEMBL16093751 0.75 HPGD (0.58) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16104960 0.75 PTGER4 (0.57) HPGDALDH1A1MAPTPGRRORC
SCHEMBL625395 0.75 HPGD (0.51) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL16093825 0.73 PGR (0.41) HPGDALDH1A1MAPTHTTPGR

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
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
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