SCHEMBL28660703

SCHEMBL28660703

O=C(OCc1ccccc1)C1(O)CCC(C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MMP1 P03956 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL1504008 0.82 DDB1 (0.59) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL28404362 0.82 DDB1 (0.50) DDB1CRBNALDH1A1
SCHEMBL14124937 0.79 DDB1 (0.56) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL4962412 0.79 DDB1 (0.56) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL3616336 0.79 DDB1 (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL7383260 0.78 DDB1 (0.55) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL31268167 0.77 DDB1 (0.50) DDB1CRBNALDH1A1NPC1RAB9A
SCHEMBL1966881 0.76 KMT2A (0.52) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL13311996 0.76 DDB1 (0.56) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL6291490 0.75 MAPT (0.35) ALDH1A1SMN1; SMN2MAPK1L3MBTL1KMT2A

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
CN-113677666-A Substituted bicyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2021-11-19 CN disclosed