SCHEMBL14913895

SCHEMBL14913895

C=C(C(=O)OCCC)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
THRB P10828 1/20 0.37
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL27980846 0.92 TSHR (0.38) TSHRPPM1BPTPN1PPP1CCTHRB
SCHEMBL27547851 0.91 ALDH1A1 (0.39) TSHRPPM1BPTPN1PPP1CCTHRB
SCHEMBL29117580 0.91 ALDH1A1 (0.39) TSHRPPM1BPTPN1PPP1CCTHRB
SCHEMBL14916019 0.89 TSHR (0.50) TSHRTHRBHCAR2ALDH1A1GAA
SCHEMBL14913823 0.85 TSHR (0.61) TSHRHCAR2ALDH1A1GAASMN1; SMN2
SCHEMBL5181533 0.83 ALDH1A1 (0.45) TSHRALDH1A1GAALMNAMAPT
SCHEMBL28046699 0.82 PPM1B (0.46) TSHRPPM1BPTPN1PPP1CC
SCHEMBL14914802 0.82 TSHR (0.39) TSHRTHRB
SCHEMBL29117601 0.80 TSHR (0.46) TSHRALDH1A1
SCHEMBL9009691 0.80 TSHR (0.46) TSHRALDH1A1

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-9290672-B2 Ink composition and ink jet recording method SEIKO EPSON CORPORATION (JP) 2016-03-22 US disclosed
US-20130115431-A1 INK COMPOSITION, INK JET RECORDING METHOD, AND RECORDED MATTER SEIKO EPSON CORPORATION (JP) 2013-05-09 US disclosed