SCHEMBL11486203

SCHEMBL11486203

CC(C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1CC(C(C)C)CC[C@@H]12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
GPBAR1 Q8TDU6 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RPA1 P27694 2/20 0.33
CYP2C9 P11712 2/20 0.32
F10 P00742 2/20 0.32
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 2/20 0.32
LMNA P02545 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP3A4 P08684 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
SCHEMBL11486197 1.00 PTPN1 (0.36) PTPN1GPBAR1NR1H2NR1H3RPA1
SCHEMBL678124 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
SCHEMBL26654312 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
SCHEMBL27389498 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
SCHEMBL9471834 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
SCHEMBL336573 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
SCHEMBL20061642 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
SCHEMBL31438077 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
SCHEMBL12547269 0.90 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10
Ammonia Solution, Strong SCHEMBL4774266 0.89 PTPN1 (0.43) PTPN1RPA1CYP2C9F10HSD17B10

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-4210671-A Abietamide derivatives, their production and use ENOMOTO HIROSHI (JP) 1980-07-01 US claimed
US-4210671-A Abietamide derivatives, their production and use ENOMOTO HIROSHI (JP) 1980-07-01 US disclosed