SCHEMBL8077246

SCHEMBL8077246

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
CYP19A1 P11511 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
MAOB P27338 4/20 0.31
TRPV1 Q8NER1 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8084219 0.86 KDM4E (0.36) CYP19A1MAOBKDM4EALDH1A1HPGD
SCHEMBL8088499 0.85 TP53 (0.34) CYP19A1MAOBMAPTTDP1
SCHEMBL8084230 0.85 HRH4 (0.30)
SCHEMBL9796819 0.85 HRH4 (0.34) ALDH1A1HPGDTDP1
SCHEMBL8085076 0.85 NPSR1 (0.34) CYP19A1MALT1MAOBTRPV1MAPT
SCHEMBL8077124 0.84 PSEN1 (0.36) HSD11B1TRPV1ALDH1A1
SCHEMBL8084378 0.84 ATM (0.32) MAPTALDH1A1HPGD
SCHEMBL7266931 0.83 RXFP1 (0.32) ALDH1A1TDP1
SCHEMBL8085319 0.83 PPIB (0.44) CYP19A1MAOBMAPTKDM4EALDH1A1
SCHEMBL8085302 0.83 ALDH1A1 (0.37) MAPTKDM4EALDH1A1HPGDTDP1

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
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
EP-0273262-A2 Chroman derivatives MERCK PATENT GmbH (DE) 1988-07-06 EP disclosed