SCHEMBL8617384

SCHEMBL8617384

CON=C(C)C(=O)Oc1ccccc1COc1ccc(C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.45
L3MBTL1 Q9Y468 5/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 4/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
ADRB2 P07550 1/20 0.40
TP53 P04637 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL8619242 0.94 HDAC8 (0.41) MRGPRX4L3MBTL1RAB9AMAPTNPC1
SCHEMBL8618547 0.90 MRGPRX4 (0.54) MRGPRX4MAPTADRB2PTGDR2
SCHEMBL8620478 0.89 MRGPRX4 (0.43) MRGPRX4L3MBTL1RAB9AMAPTNPC1
SCHEMBL8617286 0.89 PTGDR2 (0.46) RAB9AMAPTNPC1SMN1; SMN2CYP2C9
SCHEMBL8622051 0.85 ANO1 (0.50) MRGPRX4MAPTCYP1A2CYP2C9ADRB2
SCHEMBL8621428 0.83 MAPT (0.45) L3MBTL1MAPTNPC1HPGDHTT
SCHEMBL8617222 0.83 CDK4 (0.44) L3MBTL1MAPTCYP1A2PTGDR2FFAR4
SCHEMBL8621319 0.82 HIF1A (0.48) L3MBTL1MAPTSMN1; SMN2HTTLMNA
SCHEMBL8620428 0.82 HIF1A (0.42) L3MBTL1MAPTHPGDSMN1; SMN2HTT
SCHEMBL8617305 0.82 ALDH1A1 (0.52) MRGPRX4L3MBTL1RAB9AMAPTNPC1

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