SCHEMBL15822136

SCHEMBL15822136

OC(Cl)(c1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.44
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN5 P54829 1/20 0.38
CYP19A1 P11511 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
HSD11B1 P28845 1/20 0.36
KCNN4 O15554 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL30172471 0.84 TSHR (0.58) PTPN1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL28431632 0.79 TSHR (0.52) PTPN1TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL23149896 0.76 NR1H3 (0.50) PTPN1TSHRALDH1A1CYP1A2NR1H2
SCHEMBL23149882 0.75 PTPN1 (0.48) PTPN1TSHRALDH1A1CYP1A2NR1H2
SCHEMBL13219505 0.74 ALDH1A1 (0.52) PTPN1TSHRALDH1A1CYP1A2NR1H2
SCHEMBL7967046 0.74 TSHR (0.52) PTPN1TSHRALDH1A1CYP1A2NR1H2
SCHEMBL5865852 0.74 TSHR (0.52) PTPN1TSHRALDH1A1CYP1A2NR1H2
SCHEMBL8321565 0.74 TSHR (0.52) PTPN1TSHRALDH1A1CYP1A2NR1H2
SCHEMBL2864482 0.74 NR1H3 (0.57) PTPN1TSHRALDH1A1NR1H2NR1H3
SCHEMBL10601697 0.74 TSHR (0.52) PTPN1TSHRALDH1A1CYP1A2NR1H2

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-9856732-B2 Tracers RESTRACK AS (NO) 2018-01-02 US disclosed
EP-2935508-B1 TRACERS RESTRACK AS (NO) 2017-02-15 EP disclosed
US-20160003040-A1 Tracers Resman Technology AS (NO) 2016-01-07 US disclosed
EP-2935508-A1 TRACERS Restrack AS (NO) 2015-10-28 EP disclosed
WO-2014096459-A1 TRACERS RESTRACK AS (NO) 2014-06-26 WO disclosed