SCHEMBL19929796

SCHEMBL19929796

CCCCCCOCCCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.66
EPHX1 P07099 1/20 0.49
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
MGLL Q99685 1/20 0.46
KCNJ1 P48048 1/20 0.46
CYP19A1 P11511 2/20 0.45
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45

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
SCHEMBL9165352 0.92 TSHR (0.55) KCNH2EPHX1TSHRKCNJ1CHRM2
SCHEMBL8727026 0.92 TSHR (0.55) KCNH2EPHX1TSHRKCNJ1CHRM2
SCHEMBL11308396 0.92 TSHR (0.55) KCNH2EPHX1TSHRKCNJ1CHRM2
SCHEMBL4310058 0.91 KCNH2 (0.77) KCNH2TSHRALDH1A1LMNACYP3A4
SCHEMBL8743949 0.91 KCNH2 (0.77) KCNH2TSHRALDH1A1LMNACYP3A4
SCHEMBL25174460 0.91 KCNH2 (0.77) KCNH2TSHRALDH1A1LMNACYP3A4
SCHEMBL1881781 0.91 KCNH2 (0.77) KCNH2TSHRALDH1A1LMNACYP3A4
SCHEMBL4190401 0.91 KCNH2 (0.77) KCNH2TSHRALDH1A1LMNACYP3A4
SCHEMBL25171490 0.91 KCNH2 (0.77) KCNH2TSHRALDH1A1LMNACYP3A4
SCHEMBL11075250 0.91 KCNH2 (0.77) KCNH2TSHRALDH1A1LMNACYP3A4

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
US-20180067361-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA 2018-03-08 US disclosed