SCHEMBL23153196

SCHEMBL23153196

CC(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc3ccc4cccc5ccc2c3c45)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 8/20 0.42
▸ MTNR1B P49286 8/20 0.42
▸ KMT2A Q03164 2/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ ACR P10323 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37

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
SCHEMBL23153188 0.78 PRSS1 (0.33) KMT2APRSS1ACRLMNASMN1; SMN2
SCHEMBL21169025 0.74 LMNA (0.48) KMT2APRSS1ACRMEN1LMNA
SCHEMBL29116796 0.73 KMT2A (0.54) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL18803354 0.72 KMT2A (0.43) KMT2APRSS1ACRMEN1LMNA
SCHEMBL16561209 0.71 KMT2A (0.46) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL19433720 0.70 HTT (0.70) HTT
SCHEMBL19999169 0.69 KMT2A (0.41) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL16657478 0.69 THRB (0.48) MTNR1AMTNR1BKMT2ANPC1ALDH1A1
SCHEMBL24193912 0.69 THRB (0.43) KMT2APRSS1ACRMEN1LMNA
SCHEMBL17430986 0.69 POLB (0.54) MTNR1AMTNR1BKMT2APRSS1ACR

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
US-10961423-B2 Curable composition, thermally conductive material, and device with thermally conductive layer FUJIFILM CORPORATION (JP) 2021-03-30 — — US disclosed
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