SCHEMBL13811560

SCHEMBL13811560

CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CCCCC1C[C@H]3O

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 12/20 0.77
▸ NR1H4 Q96RI1 7/20 0.77
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ABCB11 O95342 2/20 0.59
▸ SLC10A2 Q12908 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CHRM2 P08172 1/20 0.59
▸ ADRA2A P08913 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ENPP2 Q13822 1/20 0.59
▸ SLC10A1 Q14973 1/20 0.59
▸ CISD1 Q9NZ45 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59

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
SCHEMBL15984655 1.00 GPBAR1 (0.77) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL23710531 0.91 NR1H4 (0.77) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL17303269 0.91 GPBAR1 (0.77) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL11383608 0.89 GPBAR1 (0.74) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL294537 0.89 GPBAR1 (0.74) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL19064984 0.89 GPBAR1 (0.78) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL1733816 0.88 GPBAR1 (0.70) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22627006 0.88 GPBAR1 (0.70) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL17641310 0.88 GPBAR1 (0.72) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22627071 0.88 GPBAR1 (0.72) 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-1011733-B1 COMPOSITIONS AND METHODS FOR ENHANCING DELIVERY OF THERAPEUTIC AGENTS TO CELLS CANJI INC (US) 2009-06-24 — — EP disclosed
Send feedback