SCHEMBL18732208

SCHEMBL18732208

CC[C@H]1CC2C3CC[C@H]([C@@H](C)CCO)C3(C)C[C@H](O)C2[C@@]2(C)CCCC[C@@H]12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.45
▸ NR1H4 Q96RI1 10/20 0.43
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ EFNA1 P20827 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL18731911 1.00 GPBAR1 (0.45) GPBAR1NR1H4CDC25ACDC25BAKR1B10
SCHEMBL19194725 0.88 GPBAR1 (0.60) GPBAR1NR1H4AKR1B10AKR1B1EFNA1
SCHEMBL6559019 0.80 CDC25A (0.62) CDC25ACDC25BMEN1LMNAKMT2A
SCHEMBL18732190 0.78 UGT2B7 (0.38) NR1H4
SCHEMBL18200025 0.78 NR1H4 (0.55) GPBAR1NR1H4
SCHEMBL17303340 0.78 GPBAR1 (0.57) GPBAR1NR1H4AKR1B10AKR1B1EFNA1
SCHEMBL17303336 0.76 GPBAR1 (0.55) GPBAR1NR1H4AKR1B10AKR1B1EFNA1
SCHEMBL18199998 0.75 NR1H4 (0.60) NR1H4
SCHEMBL25071391 0.73 GPBAR1 (0.77) GPBAR1NR1H4
SCHEMBL17303303 0.73 GPBAR1 (0.77) GPBAR1NR1H4

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-2017062763-A1 FARNESOID X RECEPTOR MODULATORS INTERCEPT PHARMACEUTICALS, INC. (US) 2017-04-13 — — WO disclosed
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