SCHEMBL28662972

SCHEMBL28662972

O=C(O)CCCCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
EPHX2 P34913 2/20 0.58
NR1H4 Q96RI1 1/20 0.58
PPARG P37231 2/20 0.54
POLB P06746 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52

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
SCHEMBL22987230 0.90 EPHX2 (0.70) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL28643603 0.89 PPARG (0.67) RAB9ASMN1; SMN2EPHX2NR1H4PPARG
SCHEMBL11473837 0.88 NPC1 (0.66) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL11471260 0.88 NPC1 (0.66) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL8987867 0.83 MEN1 (0.78) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL2418582 0.83 LTB4R (0.66) SMN1; SMN2POLBHDAC3HDAC4HDAC1
SCHEMBL28658499 0.83 NPC1 (0.64) MEN1KMT2ARAB9ASMN1; SMN2EPHX2
SCHEMBL11204036 0.82 MAPT (0.69) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10276969 0.82 MAPT (0.69) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL951697 0.82 MAPT (0.69) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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-108026028-B Treatment of diabetes and metabolic syndrome with novel dual modulators of soluble epoxide hydrolase and peroxisome proliferator-activated receptors 威斯康星州医药大学股份有限公司 2021-11-09 CN disclosed