SCHEMBL8090748

SCHEMBL8090748

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(n2ccccc2=O)C1(C)OC=O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
KMT2A Q03164 3/20 0.32
ALPL P05186 1/20 0.32
ALDH1A1 P00352 7/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ABCC9 O60706 1/20 0.31
HIF1A Q16665 1/20 0.31
RECQL P46063 1/20 0.30
MEN1 O00255 2/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8084249 0.83 HIF1A (0.35) MAPTKMT2AALPLALDH1A1L3MBTL1
SCHEMBL8182508 0.82 ABCC9 (0.40) LMNAABCC9
SCHEMBL8088761 0.78 ABCC9 (0.38) MAPTKMT2AALPLALDH1A1SMN1; SMN2
SCHEMBL9740284 0.76 ALDH1A1 (0.33) MAPTKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL8184316 0.75 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL8077034 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTL3MBTL1HIF1A
SCHEMBL9143643 0.74 ABCC9 (0.48) ALPLLMNAABCC9HIF1A
SCHEMBL7269364 0.74 ABCC9 (0.48) ALPLLMNAABCC9HIF1A
SCHEMBL9143634 0.74 ABCC9 (0.48) ALPLLMNAABCC9HIF1A
SCHEMBL9146484 0.73 ALDH1A1 (0.34) MAPTKMT2AALDH1A1SMN1; SMN2HTT

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 5 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
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed