SCHEMBL6449684

SCHEMBL6449684

COCOc1ccccc1C(C1CCCCC1)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL6452038 0.78 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ETSHRKMT2A
SCHEMBL6453675 0.78 HPGD (0.43) ALDH1A1HPGDCYSLTR2CYSLTR1HTR1A
SCHEMBL28204665 0.69 IDO1 (0.50) KDM4EMEN1KMT2A
SCHEMBL1446331 0.66 KMT2A (0.51) ALDH1A1MEN1KMT2A
SCHEMBL31692849 0.65 L3MBTL1 (0.36) ALDH1A1CA1CA2MEN1KMT2A
SCHEMBL22807502 0.64 L3MBTL1 (0.41) KMT2AEGFR
SCHEMBL30741239 0.63 CA12 (0.48) ALDH1A1CA1CA2KDM4EEGFR
SCHEMBL30741241 0.63 CA12 (0.48) ALDH1A1CA1CA2KDM4EEGFR
SCHEMBL3185351 0.63 CA12 (0.48) ALDH1A1CA1CA2KDM4EEGFR
SCHEMBL28140045 0.63 PPARG (0.35) ALDH1A1CA1CA2MEN1KMT2A

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-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed