SCHEMBL28992157

SCHEMBL28992157

C=C(C)C(=O)Oc1cccc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
CYP3A4 P08684 2/20 0.45
TRPV1 Q8NER1 2/20 0.42
ACHE P22303 4/20 0.41
TRPA1 O75762 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
LMNA P02545 1/20 0.41
SOD1 P00441 1/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL29584051 0.90 ELANE (0.46) ELANECYP3A4TRPV1ACHETRPA1
SCHEMBL373997 0.90 ELANE (0.46) ELANECYP3A4TRPV1ACHETRPA1
SCHEMBL10389716 0.87 CYP3A4 (0.47) CYP3A4TRPV1ACHETRPA1HDAC4
SCHEMBL26059944 0.86 ELANE (0.43) ELANECYP3A4TRPV1ACHETRPA1
SCHEMBL15836532 0.86 ATM (0.48) ELANELMNAATM
SCHEMBL218655 0.84 ELANE (0.56) ELANECYP3A4ACHELMNAKMT2A
SCHEMBL29584042 0.83 ELANE (0.43) ELANECYP3A4ACHELMNAKMT2A
SCHEMBL373175 0.83 ELANE (0.43) ELANECYP3A4ACHELMNAKMT2A
SCHEMBL338192 0.83 CYP3A4 (0.65) CYP3A4TRPV1ACHETRPA1HDAC4
SCHEMBL15836493 0.82 ELANE (0.42) ELANECYP3A4LMNAKMT2AATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003682-B Acrylonitrile copolymer and preparation method and application thereof 山西钢科碳材料有限公司 2024-03-01 CN claimed
CN-116003682-A Acrylonitrile copolymer and preparation method and application thereof 山西钢科碳材料有限公司 2023-04-25 CN claimed
CN-116003682-B Acrylonitrile copolymer and preparation method and application thereof 山西钢科碳材料有限公司 2024-03-01 CN disclosed
CN-116003682-A Acrylonitrile copolymer and preparation method and application thereof 山西钢科碳材料有限公司 2023-04-25 CN disclosed