SCHEMBL8679540

SCHEMBL8679540

CCC(NC(=O)c1ccccc1)(Oc1ccc(OCc2ccc(Cl)cc2)c(C)c1C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.44
PPARA Q07869 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC1 Q13547 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
SMPD1 P17405 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
INPPL1 O15357 1/20 0.40
POLB P06746 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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 0.92 MAPT (0.42) HDAC6HDAC8HDAC1MRGPRX4HPGD
SCHEMBL8678027 0.90 NPC1 (0.46) HDAC6MRGPRX4HPGDNPC1RAB9A
SCHEMBL8676570 0.90 SENP7 (0.42) HDAC1MRGPRX4NPC1RAB9AATM
SCHEMBL8677143 0.88 HPGD (0.40) HDAC6HDAC8HDAC1MRGPRX4HPGD
SCHEMBL8679538 0.85 L3MBTL1 (0.42) PPARAHDAC6HDAC8HDAC1MRGPRX4
SCHEMBL8676393 0.84 MRGPRX4 (0.47) HDAC1MRGPRX4
SCHEMBL8675846 0.83 SLC22A12 (0.40) MRGPRX4HPGDRAB9AMEN1KMT2A
SCHEMBL8679823 0.82 PPARA (0.40) PPARANPC1RAB9AMEN1KMT2A
SCHEMBL8678035 0.81 PPARG (0.41) HDAC8NPC1RAB9AMEN1KMT2A
SCHEMBL8678804 0.80 PDE4A (0.42) HDAC1NPC1RAB9AMEN1KMT2A

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