SCHEMBL28844005

SCHEMBL28844005

N#CCc1cccc(C(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.46
ALB P02768 1/20 0.43
HMGB1 P09429 1/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
FOLH1 Q04609 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
FFAR1 O14842 1/20 0.39
TSPO P30536 1/20 0.39
DRD3 P35462 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLCN2 P51788 1/20 0.38

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
SCHEMBL633639 0.86 HPGD (0.39) MRGPRX4HPGDKMT2AMEN1MAPT
SCHEMBL2422410 0.83 FOLH1 (0.53) HMGB1HPGDKMT2AMAPTFOLH1
SCHEMBL4968519 0.82 ALDH1A1 (0.47) MRGPRX4KMT2AMEN1MAPTALDH1A1
SCHEMBL2833475 0.81 MRGPRX4 (0.43) MRGPRX4ALBHMGB1HPGDFOLH1
SCHEMBL1245939 0.81 TSHR (0.52) MRGPRX4HMGB1HPGDKMT2AFOLH1
SCHEMBL31384443 0.81 HMGB1 (0.40) MRGPRX4HMGB1HPGDKMT2AMAPT
SCHEMBL31384413 0.81 MRGPRX4 (0.51) MRGPRX4HMGB1HPGDKMT2AFOLH1
SCHEMBL205733 0.81 MRGPRX4 (0.45) MRGPRX4HMGB1HPGDKMT2AMEN1
SCHEMBL1401459 0.79 MRGPRX4 (0.49) MRGPRX4ALBHMGB1HPGDFOLH1
SCHEMBL4238088 0.79 KAT6A (0.54) MRGPRX4ALBHMGB1HPGDFOLH1

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-106573915-A Compounds active against bromodomains 纽韦卢森公司 2017-04-19 CN disclosed