SCHEMBL30819254

SCHEMBL30819254

CC(C)=CCc1cc([C@H]2Oc3c(ccc(O)c3CC=C(C)C)C(=O)[C@@H]2O)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.66
▸ CYP1A1 P04798 1/20 0.66
▸ CYP1B1 Q16678 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MITF O75030 1/20 0.54
▸ ALPL P05186 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALPI P09923 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALPG P10696 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SLC22A12 Q96S37 2/20 0.53
▸ SLC2A9 Q9NRM0 2/20 0.53
▸ XDH P47989 1/20 0.53
▸ CYP19A1 P11511 5/20 0.51
▸ RXRA P19793 2/20 0.49
▸ TYR P14679 1/20 0.47

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
SCHEMBL31237386 0.86 PTPN1 (0.68) PTPN1CYP1A1CYP1B1KDM4EMEN1
SCHEMBL7052282 0.86 PTPN1 (0.68) PTPN1CYP1A1CYP1B1KDM4EMEN1
Glabrol SCHEMBL15602627 0.80 PTPN1 (1.00) PTPN1CYP1A1CYP1B1KDM4EMEN1
Glabrol SCHEMBL745275 0.80 PTPN1 (1.00) PTPN1CYP1A1CYP1B1KDM4EMEN1
Neophellamuretin SCHEMBL30766255 0.73 ABCG2 (0.66) PTPN1MEN1POLBMAPTKMT2A
Neophellamuretin SCHEMBL27013455 0.73 ABCG2 (0.66) PTPN1MEN1POLBMAPTKMT2A
SCHEMBL3064706 0.73 PTPN1 (0.84) PTPN1CYP1A1CYP1B1KDM4EMEN1
SCHEMBL29425241 0.73 PTPN1 (0.84) PTPN1CYP1A1CYP1B1KDM4EMEN1
SCHEMBL27013508 0.72 ACHE (0.67) PTPN1KDM4EMEN1MITFALPL
Lespedezaflavanone B SCHEMBL29624618 0.71 PTPN1 (1.00) PTPN1CYP1A1CYP1B1KDM4EMEN1

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-119785919-A Method for screening core target points of liquorice compound for anti-inflammatory effects on stomach diseases based on pharmacology and molecular docking 沈阳化工大学 2025-04-08 — — CN disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 — — CN disclosed
Send feedback