SCHEMBL30944447

SCHEMBL30944447

CC(O)(CC(=O)CC(C)(O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.55
HIF1A Q16665 1/20 0.55
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ESR2 Q92731 4/20 0.41
KCNN4 O15554 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL1202058 0.89 CYP2C19 (0.69) CYP2C19HIF1AKMT2AMAPTHDAC3
SCHEMBL3291465 0.89 CYP2C19 (0.69) CYP2C19HIF1AKMT2AMAPTHDAC3
SCHEMBL25332888 0.89 CYP2C19 (0.69) CYP2C19HIF1AKMT2AMAPTHDAC3
SCHEMBL3105476 0.84 ALDH1A1 (0.50) CYP2C19HIF1AKMT2AMAPTHDAC3
SCHEMBL5084151 0.83 KMT2A (0.53) CYP2C19HIF1AKMT2AMAPTHDAC3
SCHEMBL11715175 0.82 CYP2C19 (0.59) CYP2C19HIF1AKMT2AMAPTHDAC3
SCHEMBL6062300 0.82 HIF1A (0.50) CYP2C19HIF1AKMT2AMAPTALDH1A1
SCHEMBL3093133 0.81 HDAC1 (0.51) CYP2C19HIF1AMAPTHDAC3HDAC4
SCHEMBL27618940 0.79 CYP2C19 (0.47) CYP2C19HIF1AKMT2AMAPTHDAC3
SCHEMBL3086629 0.79 TRPV1 (0.49) ESR2ALDH1A1L3MBTL1ESR1CYP3A4

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
CN-115004094-B Sealant for liquid crystal dropping process and method for manufacturing liquid crystal display panel 三井化学株式会社 2025-02-14 CN disclosed
CN-113661438-B Liquid crystal sealing agent, liquid crystal display panel using same, and method for manufacturing same 三井化学株式会社 2024-06-28 CN disclosed