SCHEMBL19986093

SCHEMBL19986093

c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5oc4c32)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 1/20 0.30

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
SCHEMBL19986075 0.94 ALDH1A1 (0.31) ESR2ALDH1A1LMNAPPARGRXFP1
SCHEMBL19986081 0.92 ESR1 (0.33) ESR1ESR2
SCHEMBL19986070 0.89 ESR2 (0.35) ESR1ESR2ALDH1A1LMNAPPARG
SCHEMBL19986033 0.89 PLA2G2A (0.33) ALDH1A1LMNAPPARGRXFP1NR2E3
SCHEMBL19986025 0.88 PLA2G2A (0.35) ALDH1A1LMNAPPARGRXFP1NR2E3
SCHEMBL19986087 0.87 PLA2G2A (0.34) ALDH1A1LMNAPPARGRXFP1NR2E3
SCHEMBL19986057 0.87 ALDH1A1 (0.34) ALDH1A1LMNAPPARGRXFP1NR2E3
SCHEMBL19986097 0.87 BRDT (0.35)
SCHEMBL17405334 0.87 ALDH1A1 (0.34) ESR1ESR2ALDH1A1LMNAPPARG
SCHEMBL19986095 0.86 ALOX5 (0.41) ESR1ESR2RXFP1

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