SCHEMBL20442796

SCHEMBL20442796

C=C(Br)c1ccc(OC)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38

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
SCHEMBL16078417 0.82 HTT (0.51) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL11804424 0.76 HTT (0.62) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL634335 0.74 HTT (0.65) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL1539315 0.74 ALDH1A1 (0.67) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL31003335 0.74 ALDH1A1 (0.67) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL1179412 0.73 HTT (0.58) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL2542278 0.73 HTT (0.58) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL1536363 0.73 HTT (0.58) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL31493212 0.73 ALDH1A1 (0.68) HTTNPC1RAB9AHPGDALDH1A1
SCHEMBL5944070 0.73 HTT (0.58) HTTNPC1RAB9AHPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed