SCHEMBL27486908

SCHEMBL27486908

C=CC(=O)c1ccc(C)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.49
MCL1 Q07820 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGER1 P34995 4/20 0.48
PTGER4 P35408 3/20 0.48
PTGER3 P43115 3/20 0.48
PTGER2 P43116 3/20 0.48
MRGPRX4 Q96LA9 4/20 0.48
MAOB P27338 1/20 0.48
LRRK2 Q5S007 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL8168015 0.85 MCL1 (0.64) AKR1C3MCL1MAPTCYP2C9CYP2C19
SCHEMBL6450060 0.84 MAPT (0.63) AKR1C3MCL1MAPTCYP2C9CYP2C19
SCHEMBL13819477 0.83 MCL1 (0.54) AKR1C3MCL1MAPTCYP2C9CYP2C19
SCHEMBL13829591 0.78 HDAC8 (0.68) MAPTSMN1; SMN2
SCHEMBL27472542 0.77 RXRA (0.55) MAPTSMN1; SMN2TDP1MRGPRX4MAOB
SCHEMBL27488701 0.77 FFAR4 (0.56) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1647381 0.77 FOLH1 (0.67) MCL1MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL20359857 0.77 MAPT (0.49) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL5268600 0.76 LRRK2 (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL5268601 0.76 LRRK2 (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181090-C Aspartyl dipeptide ester derivatives and sweeteners ֮����ʽ���� 2004-12-22 CN disclosed
CN-1296493-A Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-05-23 CN disclosed