SCHEMBL30901202

SCHEMBL30901202

CC(C)[C@]1(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.53
SLC10A1 Q14973 1/20 0.49
GPBAR1 Q8TDU6 3/20 0.48
PRKCD Q05655 1/20 0.48
TOP2A P11388 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PTPRF P10586 1/20 0.44
ACP1 P24666 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
NT5E P21589 1/20 0.43
RELA Q04206 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL7883013 0.77 SLC10A1 (0.47) PTPN1SLC10A1GPBAR1PRKCDTOP2A
SCHEMBL17867237 0.77 SLC10A1 (0.55) PTPN1SLC10A1GPBAR1PRKCDTOP2A
SCHEMBL30939494 0.77 SLC10A1 (0.52) PTPN1SLC10A1GPBAR1PRKCDTOP2A
SCHEMBL29400217 0.76 PTPN1 (0.67) PTPN1SLC10A1GPBAR1PRKCDTOP2A
SCHEMBL28453559 0.76 PTPN1 (0.67) PTPN1SLC10A1GPBAR1PRKCDTOP2A
Tetrahymanol SCHEMBL5831685 0.75 PTPN1 (0.57) PTPN1SLC10A1GPBAR1PRKCDTOP2A
Tetrahymanol SCHEMBL1401904 0.75 PTPN1 (0.57) PTPN1SLC10A1GPBAR1PRKCDTOP2A
SCHEMBL18760924 0.71 PTPN1 (0.53) PTPN1SLC10A1GPBAR1PRKCDTOP2A
SCHEMBL17867180 0.71 PTPN1 (0.53) PTPN1SLC10A1GPBAR1PRKCDTOP2A
SCHEMBL6573661 0.70 PTPN1 (0.58) PTPN1SLC10A1GPBAR1PRKCDTOP2A

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
WO-2024243136-A2 SYSTEMS AND METHODS OF SCALABLE CONVEX RECURRENT NEURAL NETWORK TRAINING FOR INTERPRETING BRAIN DYNAMICS NTT RESEARCH, INC. (US) 2024-11-28 WO disclosed
CN-110914439-B Self-inactivating viral vectors 英国研究与创新署 2024-05-17 CN disclosed