SCHEMBL28557929

SCHEMBL28557929

CC(O)C(C)(O)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.50
▸ CYP3A4 P08684 6/20 0.50
▸ CYP1A2 P05177 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CYP2C19 P33261 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CNR1 P21554 4/20 0.45
▸ PPARG P37231 3/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ PMP22 Q01453 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL8187179 0.80 LMNA (0.44) CYP3A4CYP2C19CYP2D6PPARGTSHR
SCHEMBL7187594 0.77 PPARA (0.59) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL17299692 0.74 PPARA (0.50) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL196705 0.72 PPARA (0.57) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL19262056 0.71 PPARA (0.47) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL12655378 0.70 PPARA (0.55) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL4820655 0.70 PPARA (0.55) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL4011781 0.70 PPARA (0.55) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL19969858 0.69 PPARA (0.51) PPARACYP3A4CYP1A2MEN1KMT2A
SCHEMBL28993179 0.69 PPARA (0.50) PPARACYP3A4CYP1A2MEN1KMT2A

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-109152711-B Method for producing perfume capsules with improved surfactant stability 西姆莱斯股份公司 2021-10-22 — — CN disclosed
CN-107530269-B Stable dispersions 西姆莱斯股份公司 2021-04-09 — — CN disclosed
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