SCHEMBL19986084

SCHEMBL19986084

c1ccc2c(c1)oc1c2c2c3ccccc3c3ccccc3c2c2c3ccccc3n(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c12

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR2 Q92731 2/20 0.32
ESR1 P03372 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
SCHEMBL19986081 0.94 ESR1 (0.33) ESR2ESR1
SCHEMBL19986075 0.92 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986071 0.91 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17246284 0.91 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986056 0.89 PLA2G2A (0.33) ALDH1A1
SCHEMBL19986077 0.87 NPC1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986070 0.87 ESR2 (0.35) ALDH1A1ESR2ESR1
SCHEMBL17405334 0.86 ALDH1A1 (0.34) ALDH1A1ESR2ESR1
SCHEMBL17246262 0.85 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986020 0.85 PLA2G2A (0.38) ALDH1A1

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