SCHEMBL13879769

SCHEMBL13879769

Cc1cccc(NC(=O)I)c1CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 5/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.39
GPR35 Q9HC97 1/20 0.39
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
DDX3X O00571 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL16998375 0.81 TRPV1 (0.52) TRPV1RAB9ANPC1HPGDPOLB
SCHEMBL4870194 0.78 TRPV1 (0.49) TRPV1RAB9ANPC1ALDH1A1POLB
SCHEMBL25046252 0.75 RAB9A (0.69) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL9311053 0.75 TRPV1 (0.42) TRPV1HPGDALDH1A1POLBKMT2A
SCHEMBL3365956 0.74 ALDH1A1 (0.44) TRPV1HPGDALDH1A1POLBKMT2A
SCHEMBL8175962 0.73 RAB9A (0.46) TRPV1RAB9ANPC1HPGDALDH1A1
SCHEMBL14027406 0.72 MAPT (0.44) TRPV1HPGDALDH1A1KMT2AL3MBTL1
Sulfuric Acid SCHEMBL9311042 0.72 TRPV1 (0.41) TRPV1HPGDALDH1A1POLBKMT2A
SCHEMBL9687520 0.71 ALDH1A1 (0.61) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL14003063 0.71 TRPV1 (0.43) TRPV1HPGDALDH1A1POLBKMT2A

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
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed