SCHEMBL19986070

SCHEMBL19986070

c1ccc2c(c1)oc1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3n(-c3ccc4sc5ccccc5c4c3)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
GPR3 P46089 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL17405528 0.94 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405641 0.94 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17246241 0.94 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL19986071 0.93 ALDH1A1 (0.35) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405729 0.92 ESR2 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL19986081 0.91 ESR1 (0.33) ESR2ESR1
SCHEMBL17406094 0.91 ALDH1A1 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405328 0.91 ALDH1A1 (0.36) ESR2ESR1GPR3ALDH1A1LMNA
SCHEMBL17405671 0.90 ESR2 (0.38) ESR2ESR1GPR3
SCHEMBL17246244 0.90 ESR2 (0.34) ESR2ESR1GPR3ALDH1A1LMNA

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed