SCHEMBL6944096

SCHEMBL6944096

C[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)C(O)C[C@@H]32)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 2/20 0.60
▸ GPBAR1 Q8TDU6 6/20 0.53
▸ LMNA P02545 5/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SHBG P04278 3/20 0.53
▸ SERPINA6 P08185 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HSD17B3 P37058 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ CYP19A1 P11511 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL6839775 1.00 G6PD (0.60) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL6839778 1.00 G6PD (0.60) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL1418980 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL1418644 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL6905401 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL1418928 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL1419111 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL6874636 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL6884657 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1
SCHEMBL1500304 0.88 G6PD (0.77) G6PDGPBAR1LMNACYP3A4MEN1

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-1351971-A2 COMPOUNDS USEFUL FOR TREATING HYPERTRIGLYCERIDEMIA Aeson Therapeutics Inc. (US) 2003-10-15 — — EP disclosed
WO-2002028880-A2 COMPOUNDS USEFUL FOR TREATING HYPERTRIGLYCERIDEMIA AESON THERAPEUTICS INC. (US) 2002-04-11 — — WO disclosed
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