SCHEMBL7053762

SCHEMBL7053762

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 11/20 0.78
▸ NR1H4 Q96RI1 6/20 0.78
▸ OSBP P22059 1/20 0.76
▸ OSBP2 Q969R2 1/20 0.76
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ ABCB11 O95342 2/20 0.69
▸ SLC10A2 Q12908 2/20 0.69
▸ LMNA P02545 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ CHRM2 P08172 1/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ ADRA1A P35348 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ ENPP2 Q13822 1/20 0.69
▸ SLC10A1 Q14973 1/20 0.69
▸ CISD1 Q9NZ45 1/20 0.69
▸ CYP3A4 P08684 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
SCHEMBL13456224 1.00 GPBAR1 (0.78) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL6387168 1.00 GPBAR1 (0.78) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL25337907 1.00 GPBAR1 (0.78) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL25338757 1.00 GPBAR1 (0.78) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL24352457 0.95 GPBAR1 (0.76) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL16226878 0.91 GPBAR1 (0.77) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL16226581 0.91 GPBAR1 (0.77) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL14146217 0.91 GPBAR1 (0.77) GPBAR1NR1H4OSBPOSBP2MEN1
SCHEMBL19360888 0.90 GPBAR1 (0.87) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19360871 0.90 GPBAR1 (0.87) GPBAR1NR1H4MEN1KMT2AABCB11

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
EP-0946584-B1 Meiosis regulating compounds NOVO NORDISK AS (DK) 2003-04-23 — — EP claimed
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