SCHEMBL24028980

SCHEMBL24028980

Bc1cc2ccc3ccccc3c2c2oc3ccc4ccc(CC(C)(O)C(C)(C)O)cc4c3c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPC1 O15118 4/20 0.31
▸ TDP1 Q9NUW8 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL24028982 0.80 AHR (0.42) MAPTKMT2AMEN1TP53CYP3A4
SCHEMBL24029181 0.78 — —
SCHEMBL24028978 0.71 TDP1 (0.36) MAPTKMT2AMEN1TP53CYP3A4
SCHEMBL24028513 0.68 KMT2A (0.43) MAPTKMT2ATP53CYP3A4CYP2D6
SCHEMBL24028848 0.67 — —
SCHEMBL24028828 0.66 AHR (0.44) MAPTKMT2AMEN1TP53CYP3A4
SCHEMBL24030846 0.64 — —
SCHEMBL24028817 0.62 L3MBTL1 (0.51) MAPTCYP2C9CYP2C19KDM4ENPC1
SCHEMBL20614618 0.62 HNF4A (0.42) MAPTKMT2AMEN1TP53CYP3A4
SCHEMBL26193953 0.62 CYP1A2 (0.41) MAPTKMT2AMEN1CYP3A4KDM4E

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
WO-2021230654-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 — — WO disclosed
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