SCHEMBL8679799

SCHEMBL8679799

CCc1ccc(COc2ccc(OC(CC)(NC(=O)c3ccccc3)C(=O)O)c(C)c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 1/20 0.40
KMT2A Q03164 1/20 0.40
CSF1R P07333 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL8676570 0.92 SENP7 (0.42) MAPTRAB9AL3MBTL1LMNANPC1
SCHEMBL8679540 0.92 PTGER1 (0.44) MAPTRAB9ANPC1SENP7KMT2A
SCHEMBL8677143 0.90 HPGD (0.40) MAPTRAB9AL3MBTL1LMNANPC1
SCHEMBL8678027 0.90 NPC1 (0.46) MAPTRAB9AL3MBTL1NPC1CASP3
SCHEMBL8676393 0.86 MRGPRX4 (0.47) SMN1; SMN2FFAR4MRGPRX4HDAC1
SCHEMBL8675846 0.85 SLC22A12 (0.40) MAPTRAB9AL3MBTL1LMNAALDH1A1
SCHEMBL8679823 0.83 PPARA (0.40) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8678035 0.83 PPARG (0.41) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8678804 0.82 PDE4A (0.42) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8677002 0.81 PDE4A (0.41) RAB9ANPC1KMT2APPARGHDAC1

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
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed