SCHEMBL29501288

SCHEMBL29501288

CC1(C)CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]23C)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.63
PTPN2 P17706 1/20 0.42
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 2/20 0.36
HSD11B1 P28845 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
PLA2G1B P04054 2/20 0.32
ENTPD5 O75356 1/20 0.32
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
RPS6KA5 O75582 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
ALOX5 P09917 1/20 0.31
PIK3CB P42338 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL13742655 0.77 PTPN1 (1.00) PTPN1PTPN2ALDH1A1CYP3A4CYP2C9
SCHEMBL1035372 0.72 PTPN1 (0.72) PTPN1PTPN2ALDH1A1CYP3A4CYP2C9
SCHEMBL19185380 0.72 PTPN1 (0.62) PTPN1PTPN2ALDH1A1CYP3A4CYP2C9
Tetrahymanol SCHEMBL1401904 0.71 PTPN1 (0.57) PTPN1USP2
Tetrahymanol SCHEMBL5831685 0.71 PTPN1 (0.57) PTPN1USP2
SCHEMBL16433264 0.70 PTPN1 (0.49) PTPN1PTPN2ALDH1A1CYP3A4CYP2C9
SCHEMBL27753229 0.69 PTPN1 (0.70) PTPN1PTPN2ALDH1A1CYP3A4CYP2C9
SCHEMBL160601 0.69 PTPN1 (1.00) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL8068676 0.69 PTPN1 (1.00) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL14676866 0.69 PTPN1 (0.62) PTPN1PTPN2ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3989943-B1 COMPOSITION COMPRISING AT LEAST ONE TRITERPENE AND/OR AT LEAST ONE TRITERPENOID AND/OR AT LEAST ONE OF THE GLYCOSYLATED FORMS THEREOF TILMAN (BE) 2026-05-20 EP disclosed
US-20220362158-A1 COMPOSITION COMPRISING AT LEAST ONE TRITERPENE AND/OR AT LEAST ONE TRITERPENOID AND/OR AT LEAST ONE OF THE GLYCOSYLATED FORMS THEREOF ELEONOR (BE) 2022-11-17 US disclosed
EP-3989943-A1 COMPOSITION COMPRISING AT LEAST ONE TRITERPENE AND/OR AT LEAST ONE TRITERPENOID AND/OR AT LEAST ONE OF THE GLYCOSYLATED FORMS THEREOF Tilman (BE) 2022-05-04 EP disclosed