SCHEMBL7326959

SCHEMBL7326959

CC1(C)Oc2ccc(Br)cc2C(Oc2ccc(S)nn2)C1(C)O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL7332017 0.89 ALDH1A1 (0.30) ALDH1A1LMNAHTT
SCHEMBL7324847 0.84 ABCC9 (0.39)
SCHEMBL7326918 0.83 AKR1B1 (0.35) ALDH1A1LMNAHTT
SCHEMBL9150597 0.78 TRPV1 (0.34) ALDH1A1LMNAHTT
SCHEMBL7324168 0.78 ABCC9 (0.38)
SCHEMBL8088697 0.75 LMNA (0.31) LMNA
SCHEMBL7323624 0.74 ABCC9 (0.40)
SCHEMBL8088654 0.74 MAPT (0.33) ALDH1A1LMNAHTT
SCHEMBL7273801 0.73 ABCC9 (0.39)
SCHEMBL8085137 0.73

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-0363883-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1990-04-18 EP disclosed