SCHEMBL10707535

SCHEMBL10707535

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(OC(=O)CCc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.70
▸ CYP46A1 Q9Y6A2 2/20 0.66
▸ USP2 O75604 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ ABCB1 P08183 1/20 0.62
▸ OSBP P22059 1/20 0.62
▸ RORC P51449 1/20 0.62
▸ OSBP2 Q969R2 1/20 0.62
▸ NPC1 O15118 1/20 0.58
▸ PLA2G2A P14555 1/20 0.58
▸ NR1H3 Q13133 3/20 0.56
▸ EPHA2 P29317 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ NPC1L1 Q9UHC9 1/20 0.55

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
SCHEMBL21177708 1.00 POLA1 (0.70) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL7787254 1.00 POLA1 (0.70) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL7787257 1.00 POLA1 (0.70) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL29055425 1.00 POLA1 (0.70) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL24437941 0.93 POLA1 (0.66) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL25990906 0.93 POLA1 (0.66) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL25249402 0.93 POLA1 (0.66) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL25249401 0.93 POLA1 (0.66) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL23070074 0.92 POLA1 (0.72) POLA1CYP46A1USP2LMNAABCB1
SCHEMBL10936315 0.92 POLA1 (0.72) POLA1CYP46A1USP2LMNAABCB1

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-0127829-B1 IMPROVED STEROID ESTERS PREPARATION AB LEO (SE) 1988-02-24 — — EP disclosed
US-4537722-A CARBODIIMIDES WITH ACID CATALYSTS ARE USED AS CONDENSING AGENTS AB LEO (SE) 1985-08-27 — — US disclosed
EP-0127829-A2 Improved steroid esters preparation AB LEO (SE) 1984-12-12 — — EP disclosed
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