SCHEMBL23710362

SCHEMBL23710362

O=C(CC[C@@H](CCP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)OCc1ccccc1)OCCl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CETP P11597 3/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CDC25B P30305 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL23710366 0.89 FOLH1 (0.47) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL26427320 0.89 FOLH1 (0.47) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL23710384 0.89 FOLH1 (0.47) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL23710442 0.84 FOLH1 (0.45) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL23704703 0.83 FOLH1 (0.57) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL6381693 0.82 FOLH1 (0.51) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL26424068 0.81 FOLH1 (0.49) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL26424221 0.80 FOLH1 (0.46) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL26424317 0.78 CETP (0.45) FOLH1TSHRALDH1A1MAPK1L3MBTL1
SCHEMBL23705074 0.77 FOLH1 (0.52) FOLH1TSHRALDH1A1MAPK1L3MBTL1

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-2021155167-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2021-08-05 WO disclosed