SCHEMBL27979829

SCHEMBL27979829

Oc1ccccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ BCL2L1 Q07817 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ BACE1 P56817 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CASP3 P42574 2/20 0.42
▸ SENP8 Q96LD8 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42
▸ SENP6 Q9GZR1 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ CHUK O15111 1/20 0.42
▸ TXNRD1 Q16881 1/20 0.42

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
SCHEMBL702189 0.89 HPGD (0.52) HPGDALDH1A1BCL2L1HSD17B10L3MBTL1
SCHEMBL30063452 0.84 HPGD (0.68) HPGDALDH1A1BCL2L1HSD17B10BACE1
SCHEMBL30063511 0.84 HPGD (0.68) HPGDALDH1A1BCL2L1HSD17B10BACE1
SCHEMBL25494821 0.81 MCL1 (0.49) HPGDALDH1A1BCL2L1HSD17B10ESR1
SCHEMBL24063857 0.81 HDAC4 (0.45) HPGDALDH1A1BCL2L1HSD17B10BACE1
SCHEMBL10017160 0.81 IDO1 (0.54) HPGDALDH1A1BCL2L1HSD17B10BACE1
SCHEMBL15116984 0.80 ALOX5 (0.53) HPGDALDH1A1BCL2L1HSD17B10BACE1
SCHEMBL25957743 0.79 ACHE (0.45) HPGDALDH1A1BCL2L1HSD17B10BACE1
SCHEMBL29354925 0.78 ACHE (0.56) HPGDALDH1A1L3MBTL1ESR1ESR2
SCHEMBL36757 0.78 ACHE (0.56) HPGDALDH1A1L3MBTL1ESR1ESR2

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
CN-104040747-A Material for light emitting layers and organic electroluminescent element using same JNC CORP 2014-09-10 — — CN disclosed
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