SCHEMBL28751612

SCHEMBL28751612

CCc1nc(NC(=O)c2cc3cc(C)cc(C)c3n2CC(=O)O)sc1C1CCC(c2cc(OC)c(Cl)cc2OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
STAT3 P40763 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CCKAR P32238 1/20 0.33
LMNA P02545 2/20 0.31
GRM4 Q14833 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 1/20 0.30
ADAM17 P78536 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL27580962 0.90 ALDH1A1 (0.33) ALDH1A1HPGDSTAT3TRPV4KMT2A
SCHEMBL27581054 0.90 TRPV4 (0.34) TRPV4KMT2AMEN1CCKARTP53
SCHEMBL27598402 0.89 MEN1 (0.39) ALDH1A1HPGDSTAT3TRPV4KMT2A
SCHEMBL28751610 0.83 TRPV4 (0.33) ALDH1A1HPGDSTAT3TRPV4KMT2A
SCHEMBL28941667 0.81 RXFP1 (0.35) ALDH1A1HPGDSTAT3TRPV4LMNA
SCHEMBL27598409 0.81 MAPT (0.33) ALDH1A1HPGDSTAT3TRPV4KMT2A
SCHEMBL27598407 0.80 TRPV4 (0.32) TRPV4GRM4
SCHEMBL27598408 0.80 MAPT (0.35) HPGDTRPV4KMT2ALMNAPOLB
SCHEMBL27598580 0.76 ALDH1A1 (0.31) ALDH1A1HPGDSTAT3KMT2ANPC1
SCHEMBL6704409 0.74 MAPT (0.32) ALDH1A1HPGDSTAT3TRPV4KMT2A

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
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed