SCHEMBL1126907

SCHEMBL1126907

CC=C1[C@@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 4/20 0.70
▸ SHBG P04278 5/20 0.59
▸ SERPINA6 P08185 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ESR1 P03372 1/20 0.59
▸ AR P10275 1/20 0.59
▸ ESR2 Q92731 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ GUSB P08236 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ GPBAR1 Q8TDU6 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ CYP17A1 P05093 10/20 0.57
▸ TBXAS1 P24557 1/20 0.56
▸ SRD5A2 P31213 1/20 0.56

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
SCHEMBL14193745 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL12153536 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL12403266 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL13420735 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL14193758 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL3670416 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL14193756 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL13420269 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL1126576 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1
SCHEMBL13642783 1.00 G6PD (0.70) G6PDSHBGSERPINA6LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594577-A1 Process for preparing guggulsterones and guggulsterol Seoul National University Industry Foundation (KR) 2013-05-22 — — EP disclosed
WO-2011073440-A3 DEODORANT COMPOSITION BASED ON ANTIMICROBIAL PEPTIDES AND METHOD FOR TREATING BODY ODOUR L'OREAL (FR) 2012-05-10 — — WO disclosed
EP-1620455-B1 PROCESS FOR PREPARING GUGGULSTERONES AND GUGGULSTEROL SEOUL NAT UNIV IND FOUNDATION (KR) 2011-11-30 — — EP disclosed
EP-2284176-A1 Process for preparing guggulsterones and guggulsterol Seoul National University Industry Foundation (KR) 2011-02-16 — — EP disclosed
EP-2251346-A2 Process for preparing guggulsterones and guggulsterol Seoul National University Industry Foundation (KR) 2010-11-17 — — EP disclosed
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