SCHEMBL13317253

SCHEMBL13317253

CC[C@@H](C(=O)N1CCCCc2cc(C(O)(F)C(F)(F)F)ccc21)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NR1H3 Q13133 3/20 0.44
▸ LMNA P02545 4/20 0.43
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40

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
SCHEMBL13317251 1.00 POLB (0.45) POLBNPSR1HTTMEN1KMT2A
SCHEMBL3623624 0.92 NR1H3 (0.53) POLBNPSR1HTTMEN1KMT2A
SCHEMBL3628348 0.92 NR1H3 (0.53) POLBNPSR1HTTMEN1KMT2A
SCHEMBL3623627 0.92 NR1H3 (0.53) POLBNPSR1HTTMEN1KMT2A
SCHEMBL13317244 0.87 MEN1 (0.47) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL13317252 0.87 MEN1 (0.47) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL13317250 0.87 MEN1 (0.47) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL13317297 0.84 NPSR1 (0.45) NPSR1HTTMEN1KMT2ANR1H3
SCHEMBL13317259 0.79 RAB9A (0.57) NR1H3ALDH1A1
SCHEMBL3626532 0.79 NR1H3 (0.56) NPSR1HTTMEN1KMT2ANR1H3

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-7741317-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 — — US disclosed
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