SCHEMBL17867295

SCHEMBL17867295

CC(CO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.74
GPBAR1 Q8TDU6 3/20 0.47
SLC10A1 Q14973 1/20 0.41
NR1H4 Q96RI1 4/20 0.38
PLA2G2A P14555 1/20 0.38
PRKCD Q05655 1/20 0.36
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
CDC25A P30304 2/20 0.34
CDC25B P30305 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL29511057 1.00 PTPN1 (0.74) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A
SCHEMBL30010403 0.88 PTPN1 (0.76) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A
SCHEMBL27936143 0.88 PTPN1 (0.71) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A
SCHEMBL4646248 0.88 PTPN1 (0.76) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A
SCHEMBL29352096 0.88 PTPN1 (0.67) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A
SCHEMBL17866708 0.86 PTPN1 (0.62) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A
Tetrahydroxybacteriohopane SCHEMBL7896032 0.85 PTPN1 (0.61) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A
SCHEMBL160601 0.85 PTPN1 (1.00) PTPN1GPBAR1SLC10A1NR1H4PRKCD
SCHEMBL8068676 0.85 PTPN1 (1.00) PTPN1GPBAR1SLC10A1NR1H4PRKCD
SCHEMBL18730236 0.84 PTPN1 (0.69) PTPN1GPBAR1SLC10A1NR1H4PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
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
CN-106109585-A Prevent and treat the pharmaceutical composition of breast carcinoma 济南星懿医药技术有限公司 2016-11-16 CN disclosed
CN-106038832-A Drug compound for treating breast cancer and preparation method thereof 济南星懿医药技术有限公司 2016-10-26 CN disclosed
CN-106038633-A Pharmaceutical composition capable of treating breast cancer 济南星懿医药技术有限公司 2016-10-26 CN disclosed
CN-106038637-A Pharmaceutical composition for treating breast cancer 济南星懿医药技术有限公司 2016-10-26 CN disclosed
CN-105998087-A Medicine composition for treating carcinoma of urinary bladder and preparation method thereof 济南星懿医药技术有限公司 2016-10-12 CN disclosed
CN-105998161-A Pharmaceutical composition for preventing and treating breast cancer 济南星懿医药技术有限公司 2016-10-12 CN disclosed
US-20160186168-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2016-06-30 US disclosed