SCHEMBL8084307

SCHEMBL8084307

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(n2cc(Cl)cc(Cl)c2=O)C1(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.35
ALDH1A1 P00352 5/20 0.34
AKR1B1 P15121 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL8085094 0.93 HSD17B10 (0.35) ABCC9ALDH1A1AKR1B1HSD17B10SMN1; SMN2
SCHEMBL8088707 0.91 ABCC9 (0.34) ABCC9ALDH1A1AKR1B1SMN1; SMN2MEN1
SCHEMBL8077040 0.90 ABCC9 (0.34) ABCC9ALDH1A1AKR1B1HTTMEN1
SCHEMBL8090465 0.90 MAPT (0.34) ABCC9ALDH1A1AKR1B1HSD17B10SMN1; SMN2
SCHEMBL8085254 0.87 MAPT (0.35) ABCC9HTTSMN1; SMN2CYP1A2MEN1
SCHEMBL8076915 0.87 ALDH1A1 (0.34) ABCC9ALDH1A1AKR1B1MEN1KMT2A
SCHEMBL8077294 0.86 KMT2A (0.41) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL8088491 0.86 ALDH1A1 (0.36) ABCC9ALDH1A1AKR1B1HSD17B10SMN1; SMN2
SCHEMBL8085038 0.83 MEN1 (0.37) ABCC9ALDH1A1AKR1B1SMN1; SMN2MEN1
SCHEMBL8088752 0.82 ABCC9 (0.35) ABCC9ALDH1A1AKR1B1HTTSMN1; SMN2

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