SCHEMBL8675846

SCHEMBL8675846

CCC(NC(=O)c1ccccc1)(Oc1ccc(OCc2c(C)cccc2C)c(C)c1C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 6/20 0.37
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8679799 0.85 MAPT (0.42) LMNAMAPTRAB9AL3MBTL1MRGPRX4
SCHEMBL8675844 0.84 L3MBTL1 (0.40) SLC22A12SGMS2LMNAMAPTRAB9A
SCHEMBL8676393 0.84 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2
SCHEMBL8676570 0.83 SENP7 (0.42) LMNAMAPTRAB9AL3MBTL1MRGPRX4
SCHEMBL8679540 0.83 PTGER1 (0.44) MAPTRAB9AMRGPRX4POLBMEN1
SCHEMBL8679823 0.81 PPARA (0.40) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL8677143 0.81 HPGD (0.40) LMNAMAPTRAB9AL3MBTL1MRGPRX4
SCHEMBL8678027 0.81 NPC1 (0.46) MAPTRAB9AL3MBTL1MRGPRX4KMT2A
SCHEMBL8678035 0.80 PPARG (0.41) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL8678804 0.80 PDE4A (0.42) MAPTRAB9AMEN1KMT2ANPSR1

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