SCHEMBL13765632

SCHEMBL13765632

CO[C@@H]1CCC2(C)C(C1)C[C@@H](OC)C1C2CCC2(C)C(C(C)CCC(=O)O)CCC12

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 12/20 0.82
▸ NR1H4 Q96RI1 5/20 0.66
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ ABCB11 O95342 2/20 0.63
▸ SLC10A2 Q12908 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ CHRM2 P08172 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ ADRA1A P35348 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ ENPP2 Q13822 1/20 0.63
▸ SLC10A1 Q14973 1/20 0.63
▸ CISD1 Q9NZ45 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ USP2 O75604 1/20 0.61
▸ VDR P11473 1/20 0.61

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
SCHEMBL19864143 1.00 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19278633 1.00 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19278576 1.00 GPBAR1 (0.82) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19864123 0.94 GPBAR1 (0.73) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19864145 0.93 GPBAR1 (0.78) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19864129 0.93 GPBAR1 (0.78) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19864117 0.93 GPBAR1 (0.72) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19278595 0.91 GPBAR1 (0.77) GPBAR1VDR
SCHEMBL19278674 0.91 GPBAR1 (0.77) GPBAR1VDR
SCHEMBL19278636 0.90 GPBAR1 (1.00) 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
US-7557097-B2 Structural, behavioral characterization, and synthesis of attractants for migratory lamprey REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-07-07 — — US disclosed
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