SCHEMBL7533551

SCHEMBL7533551

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCD Q05655 1/20 1.00
▸ CETP P11597 1/20 0.91
▸ PTPN1 P18031 3/20 0.78
▸ NT5E P21589 8/20 0.73
▸ PRKCG P05129 2/20 0.72
▸ USP2 O75604 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ AKR1B10 O60218 1/20 0.69
▸ ALB P02768 1/20 0.69
▸ POLB P06746 1/20 0.69
▸ GLI1 P08151 1/20 0.69
▸ AKR1B1 P15121 1/20 0.69
▸ DPP4 P27487 1/20 0.69
▸ RORC P51449 1/20 0.69
▸ GPBAR1 Q8TDU6 1/20 0.69
▸ SAE1 Q9UBE0 1/20 0.69
▸ UBA2 Q9UBT2 1/20 0.69

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
SCHEMBL3784626 0.94 PRKCD (0.89) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL12150557 0.92 PRKCD (0.85) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL13259788 0.92 PRKCD (0.85) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL15715885 0.91 CETP (0.86) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL12150571 0.91 PRKCD (0.83) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL2700741 0.91 PRKCD (0.83) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL15478120 0.91 PRKCD (0.83) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL12154546 0.91 PRKCD (0.83) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL13259813 0.91 PRKCD (0.83) PRKCDCETPPTPN1NT5EPRKCG
SCHEMBL12300364 0.90 PRKCD (0.81) PRKCDCETPPTPN1NT5EPRKCG

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
EP-1189607-A2 ANTI-TUMOR ACTIVITY OF VITAMIN E, CHOLESTEROL, TAXOL AND BETULINIC ACID DERIVATIVES Washington State University Research Foundation (US) 2002-03-27 — — EP disclosed
WO-2000059492-A2 ANTI-TUMOR ACTIVITY OF VITAMIN E, CHOLESTEROL, TAXOL AND BETULINIC ACID DERIVATIVES WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-10-12 — — WO disclosed
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