SCHEMBL8090551

SCHEMBL8090551

CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.41
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
KMT2A Q03164 5/20 0.37
POLB P06746 3/20 0.37
TTR P02766 1/20 0.37
PTPRC P08575 2/20 0.36
ALOX5 P09917 1/20 0.35
MEN1 O00255 4/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34

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
SCHEMBL7277136 0.91 S100A4 (0.38) RARARARBRARGKMT2AMEN1
SCHEMBL7277331 0.90 F10 (0.40) RARARARBRARGALDH1A1HSD17B10
SCHEMBL7268034 0.88 ALOX5 (0.40) RARARARBRARGKMT2APOLB
SCHEMBL8088448 0.87 RARA (0.32) RARARARBRARG
SCHEMBL8088450 0.87 RARA (0.32) RARARARBRARG
SCHEMBL7276973 0.86 F10 (0.33) RARARARBRARG
SCHEMBL7277024 0.85 ALDH1A1 (0.42) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL8084382 0.84 RARA (0.32) RARARARBRARG
SCHEMBL8084219 0.83 KDM4E (0.36) RARARARBRARGKMT2AMEN1
SCHEMBL8084230 0.82 HRH4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed