SCHEMBL13019592

SCHEMBL13019592

CCCCCCOc1ccc2c(c1)Oc1cc(C)ccc1C2c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
LTA4H P09960 1/20 0.42
PLA2G4B P0C869 3/20 0.40
PTPN11 Q06124 2/20 0.40
HTR2A P28223 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALDH2 P05091 1/20 0.40
FFAR1 O14842 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
GAA P10253 1/20 0.40
DHFR P00374 1/20 0.39
PLK1 P53350 3/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL13172506 0.94 TSHR (0.50) TSHRLTA4HPLA2G4BPTPN11HTR2A
SCHEMBL383949 0.79 KCNA3 (0.52) TSHRLTA4HPLA2G4BGAA
SCHEMBL26778722 0.76 MAOA (0.49) TSHRLTA4HPLA2G4BPTPN11HTR2A
SCHEMBL24402162 0.75 GAA (0.56) TSHRALDH1A1ALDH2GAA
SCHEMBL6280556 0.73 TSHR (0.49) TSHRLTA4HPLA2G4BPTPN11HTR2A
SCHEMBL23604749 0.72 PTPN11 (0.51) PLA2G4BPTPN11HTR2APPARGPLK1
SCHEMBL14564225 0.71 ESR1 (0.41) TSHRFFAR1PPARGPPARD
SCHEMBL16772437 0.71 HTR2A (0.40) TSHRHTR2AALDH1A1GAA
SCHEMBL31545446 0.71 HTR2A (0.40) TSHRHTR2AALDH1A1GAA
SCHEMBL22207278 0.70 TSHR (0.67) TSHRLTA4HPLA2G4B

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-20100330496-A1 SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING-REPRODUCTION METHOD, AND SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING MATERIAL FOR USE THEREIN FUJIFILM CORPORATION (JP) 2010-12-30 US disclosed