SCHEMBL25326883

SCHEMBL25326883

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.59
▸ GPBAR1 Q8TDU6 3/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ SHBG P04278 2/20 0.59
▸ SERPINA6 P08185 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ KMT2A Q03164 1/20 0.55
▸ NR3C1 P04150 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ NR3C2 P08235 1/20 0.47
▸ AR P10275 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ MGAM O43451 1/20 0.47
▸ GRIN2D O15399 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46

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
SCHEMBL25912457 1.00 LMNA (0.59) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL12992111 1.00 LMNA (0.59) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL25322998 1.00 LMNA (0.59) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL25323572 1.00 LMNA (0.59) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL25912307 1.00 LMNA (0.59) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL7296344 0.84 CYP19A1 (0.43) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL7297224 0.84 CYP19A1 (0.43) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL4340293 0.84 CYP19A1 (0.43) LMNAGPBAR1CYP3A4CYP1A2CYP2C9
SCHEMBL25189601 0.84 GRIN1 (0.65) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3118670 0.84 GRIN1 (0.65) LMNACYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137529-A1 ANTI-PARASITE COMPOUNDS AUSTRALIAN NATIONAL UNIVERSITY (AU) 2023-07-27 — — WO disclosed
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