SCHEMBL11236282

SCHEMBL11236282

COc1ccccc1COC(CBr)CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
TAAR1 Q96RJ0 1/20 0.46
ABCB1 P08183 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL11222740 0.83 L3MBTL1 (0.49) ALDH1A1GAAMAPTATML3MBTL1
SCHEMBL11230270 0.82 IDO1 (0.55) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL12936623 0.79 IDO1 (0.60) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL11243877 0.76 IDO1 (0.61) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL31290863 0.74 IDO1 (0.69) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL26654 0.74 IDO1 (0.69) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL29377714 0.74 IDO1 (0.57) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL17804 0.74 IDO1 (0.57) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL10607688 0.74 IDO1 (0.69) IDO1TAAR1ABCB1CHRM2CHRM1
SCHEMBL31048 0.74 IDO1 (0.69) IDO1TAAR1ABCB1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US disclosed
US-4018824-A ANTIULCER AND ADRENERGIC BLOCKING AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JA) 1977-04-19 US disclosed