SCHEMBL8620573

SCHEMBL8620573

Cc1ccc(OCc2ccccc2CCl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.52
MAPT P10636 5/20 0.52
RAB9A P51151 4/20 0.52
ATM Q13315 1/20 0.52
MRGPRX4 Q96LA9 5/20 0.49
HPGD P15428 4/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8622098 0.91 MAPT (0.49) L3MBTL1MAPTRAB9AATMMRGPRX4
SCHEMBL1539384 0.86 SMN1; SMN2 (0.48) L3MBTL1MAPTRAB9AHPGDNPC1
SCHEMBL8624560 0.86 L3MBTL1 (0.49) L3MBTL1MAPTRAB9AMRGPRX4HPGD
SCHEMBL8618574 0.84 MRGPRX4 (0.62) L3MBTL1MAPTRAB9AMRGPRX4HPGD
SCHEMBL17616592 0.83 L3MBTL1 (0.51) L3MBTL1MAPTRAB9AATMMRGPRX4
SCHEMBL17858627 0.83 MAPT (0.60) L3MBTL1MAPTRAB9AATMMRGPRX4
SCHEMBL8592157 0.82 MAPT (0.48) L3MBTL1MAPTRAB9AATMMRGPRX4
SCHEMBL2561997 0.81 MRGPRX4 (0.49) L3MBTL1MAPTRAB9AATMMRGPRX4
SCHEMBL31568528 0.80 RAB9A (0.48) L3MBTL1MAPTRAB9AATMMRGPRX4
SCHEMBL13793884 0.79 L3MBTL1 (0.50) L3MBTL1MAPTRAB9AATMMRGPRX4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed