Sugi Predict

Sugi Predict / Compounds / SCHEMBL17866730

SCHEMBL17866730

SCHEMBL17866730

CC1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](C(C)C(O)CC(O)C(O)C(O)CO)[C@@H]5CC[C@]43C)[C@@]2(C)C1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.44
▸ SLC10A1 Q14973 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL17866787 0.89 PTPN1 (0.45) PTPN1SLC10A1GPBAR1
SCHEMBL16432731 0.87 PTPN1 (0.61) PTPN1SLC10A1GPBAR1
SCHEMBL31490969 0.86 PTPN1 (0.44) PTPN1SLC10A1GPBAR1
SCHEMBL16431688 0.78 PTPN1 (0.43) PTPN1SLC10A1GPBAR1
SCHEMBL16432031 0.76 PTPN1 (0.63) PTPN1SLC10A1GPBAR1
SCHEMBL17866708 0.76 PTPN1 (0.62) PTPN1SLC10A1GPBAR1
Tetrahydroxybacteriohopane SCHEMBL7896032 0.73 PTPN1 (0.61) PTPN1SLC10A1GPBAR1
SCHEMBL17867266 0.70 PTPN1 (0.46) PTPN1SLC10A1GPBAR1
SCHEMBL18760925 0.67 PTPN1 (0.43) PTPN1
SCHEMBL17867295 0.67 PTPN1 (0.74) PTPN1SLC10A1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 — — US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 — — US disclosed
US-9944925-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. 2018-04-17 — — US disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 — — US disclosed