SCHEMBL4648614

SCHEMBL4648614

CNc1ccc(CCl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
APP P05067 5/20 0.42
ALDH1A1 P00352 4/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
HPGD P15428 3/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA12 O43570 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KIF11 P52732 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL291602 0.80 ALDH1A1 (0.52) TSHRAPPALDH1A1CA1CA2
SCHEMBL153943 0.76 TSHR (0.67) TSHRAPPALDH1A1CA1CA2
SCHEMBL97582 0.76 CA1 (0.52) TSHRALDH1A1CA1CA2CYP3A4
SCHEMBL2720527 0.76 HPGD (0.48) TSHRAPPALDH1A1HPGDHSD17B10
SCHEMBL27795222 0.76 CA1 (0.39) CA1CA2
SCHEMBL2290799 0.74 HRH3 (0.50) TSHRAPPCA1CA2CA12
SCHEMBL2643173 0.74 TSHR (0.43) TSHRAPPALDH1A1CA1CA2
SCHEMBL15389539 0.74 APP (0.49) TSHRAPPALDH1A1CA1CA2
SCHEMBL21081404 0.74 APP (0.47) TSHRAPPALDH1A1CA1CA2
SCHEMBL7049861 0.74 APP (0.47) TSHRAPPALDH1A1CA1CA2

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
EP-1963296-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2008-09-03 EP disclosed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 WO disclosed
CN-1315453-C Hair treatment composition comprising composite particles of clay and charged organic molecule UNILEVER PLC (NL) 2007-05-16 CN disclosed
CN-1599591-A Hair treatment composition comprising composite particles of clay and charged organic molecule UNILEVER PLC (NL) 2005-03-23 CN disclosed