SCHEMBL4646248

SCHEMBL4646248

CCC(C)[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 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.76
SLC10A1 Q14973 1/20 0.37
GPBAR1 Q8TDU6 5/20 0.36
NR1H4 Q96RI1 5/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PRKCD Q05655 1/20 0.34
PLA2G2A P14555 1/20 0.34
UGT2B7 P16662 2/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL30010403 1.00 PTPN1 (0.76) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1
SCHEMBL17867295 0.88 PTPN1 (0.74) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1
SCHEMBL29511057 0.88 PTPN1 (0.74) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1
SCHEMBL8068676 0.86 PTPN1 (1.00) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1
SCHEMBL160601 0.86 PTPN1 (1.00) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1
SCHEMBL18730236 0.85 PTPN1 (0.69) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1
SCHEMBL29352096 0.84 PTPN1 (0.67) PTPN1SLC10A1GPBAR1NR1H4PLA2G2A
SCHEMBL27936143 0.82 PTPN1 (0.71) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1
SCHEMBL15994766 0.81 PTPN1 (0.63) PTPN1GPBAR1NR1H4PLA2G2A
SCHEMBL30839889 0.81 PTPN1 (0.74) PTPN1SLC10A1GPBAR1NR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111077263-A Method suitable for evaluating severely-strongly biodegraded crude oil 山东科技大学 2020-04-28 CN claimed
CN-111077263-A Method suitable for evaluating severely-strongly biodegraded crude oil 山东科技大学 2020-04-28 CN disclosed
US-20160153945-A1 METHOD AND KIT FOR THE IDENTIFICATION OF COMPOUNDS IN AN ORGANIC MIXTURE TOTAL S.A. (FR) 2016-06-02 US disclosed
EP-3022554-A1 PROCESS AND KIT FOR IDENTIFYING COMPOUNDS OF AN ORGANIC MIXTURE Total S.A. (FR) 2016-05-25 EP disclosed
WO-2015007898-A1 PROCESS AND KIT FOR IDENTIFYING COMPOUNDS OF AN ORGANIC MIXTURE TOTAL S.A. (FR) 2015-01-22 WO disclosed
CN-101413931-B Biomarker gas chromatograph-high resolved flight time mass spectrographic analysis method in crude oil or sediment DAQING OILFIELD CO LTD 2011-07-27 CN disclosed
CN-101631930-A In situ heating of organic-rich rock formations to produce products with improved properties EXXONMOBIL UPSTREAM RES CO 2010-01-20 CN disclosed
CN-101413931-A Biomarker gas chromatograph-high resolved flight time mass spectrographic analysis method in crude oil or sediment DAQING OILFIELD CO LTD (CN) 2009-04-22 CN disclosed
EP-1347295-B1 Method for detecting or quantitatively determining Natural bitumen in an asphalt sample CARL UNGEWITTER TRINIDAD LAKE (DE) 2008-08-13 EP disclosed
EP-1347295-A1 Method for detecting or quantitatively determining Natural bitumen in an asphalt sample Carl Ungewitter Trinidad Lake Asphalt GmbH & Co. KG (DE) 2003-09-24 EP disclosed