SCHEMBL29682902

SCHEMBL29682902

CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.77
▸ F3 P13726 5/20 0.54
▸ USP7 Q93009 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ AKR1B10 O60218 3/20 0.53
▸ ALOX5 P09917 2/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ SIRT5 Q9NXA8 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ OXTR P30559 1/20 0.52
▸ AVPR1A P37288 1/20 0.52
▸ CD81 P60033 1/20 0.52
▸ POLB P06746 3/20 0.50
▸ PTPN2 P17706 3/20 0.50
▸ PSMB11 A5LHX3 2/20 0.50
▸ PSMA7 O14818 2/20 0.50

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
SCHEMBL31612513 0.91 PTPN1 (0.64) PTPN1F3USP7CYP3A4USP2
SCHEMBL19284333 0.87 PTPN1 (1.00) PTPN1F3USP7CYP3A4USP2
SCHEMBL29934333 0.87 PTPN1 (1.00) PTPN1F3USP7CYP3A4USP2
SCHEMBL1046309 0.86 PTPN1 (0.83) PTPN1F3USP7CYP3A4USP2
SCHEMBL30893653 0.86 PTPN1 (0.83) PTPN1F3USP7CYP3A4USP2
SCHEMBL26373013 0.84 F3 (0.61) PTPN1F3USP7CYP3A4USP2
SCHEMBL29934656 0.84 PTPN1 (0.58) PTPN1F3USP7CYP3A4USP2
SCHEMBL19978662 0.83 CXCR5 (0.60) PTPN1SLCO1B3SLCO1B1RELA
SCHEMBL16713178 0.82 PTPN1 (0.76) PTPN1F3USP7CYP3A4USP2
SCHEMBL16713179 0.82 PTPN1 (0.76) PTPN1F3USP7CYP3A4USP2

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
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 — — US disclosed
CN-110849993-B Structure presumption method for oil-tea camellia seed oil saponin compound 华侨大学 2022-07-05 — — CN disclosed
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