SCHEMBL28140995

SCHEMBL28140995

CN(C)C(C)(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 3/20 0.45
LMNA P02545 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
SCN1A P35498 1/20 0.45
KMT2A Q03164 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
SLC6A2 P23975 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RIPK1 Q13546 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL31212623 1.00 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL498294 1.00 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL6725266 0.85 BLM (0.59) CYP3A4MEN1ALOX15TSHRKMT2A
SCHEMBL6674277 0.85 BLM (0.59) CYP3A4MEN1ALOX15TSHRKMT2A
SCHEMBL5031234 0.85 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL27945054 0.85 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL8899299 0.84 KMT2A (0.42) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL3955413 0.84 HIF1A (0.46) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL9839841 0.83 HIF1A (0.53) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL27305322 0.82 HIF1A (0.49) HIF1ASMN1; SMN2CYP3A4LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113811278-B Concealment of hypomineralized lesions 墨尔本大学 2024-12-31 CN disclosed
CN-113412271-A Hamiltrin derivatives having cysteine residue 大日本住友制药株式会社 2021-09-17 CN disclosed
CN-111051329-A Hamiltrin derivatives and antibody drug complexes thereof 大日本住友制药株式会社 2020-04-21 CN disclosed
CN-111032676-A Antibody drug complex comprising a hemiasterlin derivative 大日本住友制药株式会社 2020-04-17 CN disclosed
CN-105873561-B Stabilized stannous compositions 墨尔本大学 2020-02-21 CN disclosed
CN-109152810-A Methods and compositions for preventing and treating duchenne muscular dystrophy 康德生物医疗技术公司 2019-01-04 CN disclosed
CN-104107417-B Methods For Preventing Or Treating Insulin Resistance 康奈尔大学 2017-04-12 CN disclosed