SCHEMBL19284333

SCHEMBL19284333

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)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 1.00
▸ AKR1B10 O60218 3/20 0.68
▸ AKR1B1 P15121 1/20 0.68
▸ F3 P13726 3/20 0.64
▸ SIRT5 Q9NXA8 3/20 0.64
▸ ALOX5 P09917 2/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ OXTR P30559 1/20 0.64
▸ AVPR1A P37288 1/20 0.64
▸ CD81 P60033 1/20 0.64
▸ USP2 O75604 2/20 0.64
▸ POLB P06746 3/20 0.59
▸ PTPN2 P17706 3/20 0.59
▸ PSMB11 A5LHX3 2/20 0.59
▸ PSMA7 O14818 2/20 0.59
▸ PLA2G1B P04054 2/20 0.59
▸ PTPRC P08575 2/20 0.59
▸ PTPRF P10586 2/20 0.59
▸ PSMB1 P20618 2/20 0.59

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
SCHEMBL29934333 1.00 PTPN1 (1.00) PTPN1AKR1B10AKR1B1F3SIRT5
SCHEMBL1046309 0.91 PTPN1 (0.83) PTPN1AKR1B10AKR1B1F3SIRT5
SCHEMBL30893653 0.91 PTPN1 (0.83) PTPN1AKR1B10AKR1B1F3SIRT5
Barringtogenol C SCHEMBL15132635 0.90 PTPN1 (0.81) PTPN1AKR1B10AKR1B1F3SIRT5
Barringtogenol C SCHEMBL14871943 0.90 PTPN1 (0.81) PTPN1AKR1B10AKR1B1F3SIRT5
Barringtogenol C SCHEMBL1049164 0.90 PTPN1 (0.81) PTPN1AKR1B10AKR1B1F3SIRT5
SCHEMBL15883013 0.88 PTPN1 (0.79) PTPN1AKR1B10AKR1B1F3SIRT5
SCHEMBL19360132 0.88 PTPN1 (0.79) PTPN1AKR1B10AKR1B1F3SIRT5
SCHEMBL29682902 0.87 PTPN1 (0.77) PTPN1AKR1B10AKR1B1F3SIRT5
SCHEMBL16713178 0.87 PTPN1 (0.76) PTPN1AKR1B10AKR1B1F3SIRT5

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-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 — — CN claimed
WO-2017146445-A1 COSMETIC COMPOSITION CONTAINING MIXED EXTRACT OF CAMELLIA FLOWERS, CHERRY BLOSSOM FLOWERS, JASMINE FLOWERS, CHAMOMILE FLOWERS, AND LOTUS FLOWERS 주식회사 젠퓨어 2017-08-31 — — WO disclosed
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