SCHEMBL8085330

SCHEMBL8085330

CC1(C)C=C(n2ccccc2=O)c2ccc(C(N)=O)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.40
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRPF1 P55201 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.33
TSHR P16473 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRK1 P41145 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
ELOVL6 Q9H5J4 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL7277331 0.91 F10 (0.40) F10KDM4EBRD4ALDH1A1BRPF1
SCHEMBL8085208 0.90 F10 (0.33) F10
SCHEMBL7276973 0.81 F10 (0.33) F10
SCHEMBL8090551 0.81 RARA (0.41) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7277136 0.81 S100A4 (0.38) F10KDM4EALDH1A1MEN1KMT2A
SCHEMBL8084378 0.80 ATM (0.32) ALDH1A1
SCHEMBL8090592 0.79 RXFP1 (0.32) ALDH1A1HSD17B10
SCHEMBL9588567 0.79 F10 (0.41) F10KDM4EBRD4ALDH1A1BRPF1
SCHEMBL8077274 0.79 F10 (0.39) F10KDM4EBRD4ALDH1A1BRPF1
SCHEMBL8088443 0.78 MAOB (0.38) F10

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