SCHEMBL27696751

SCHEMBL27696751

COc1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.51
PTGS2 P35354 3/20 0.51
PTGS1 P23219 2/20 0.51
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 3/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PKM P14618 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL11315883 0.86 MCOLN3 (0.60) MCOLN3LMNAKDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL27556282 0.85 MCOLN3 (0.59) MCOLN3LMNAKDM4EPOLBALDH1A1
SCHEMBL21561261 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL29697785 0.80 MAPT (0.56) PTGS2PTGS1LMNAKDM4EALDH1A1
SCHEMBL12326165 0.80 MAPT (0.56) PTGS2PTGS1LMNAKDM4EALDH1A1
SCHEMBL6641490 0.78 ESR2 (0.50) PTGS2ALDH1A1MAPTGAAKMT2A
SCHEMBL25871114 0.77 BRD4 (0.47) PTGS2PTGS1POLBTSHRMAPK1
SCHEMBL10023994 0.76 MAPT (0.45) MCOLN3LMNAKDM4EPOLBALDH1A1
SCHEMBL27696753 0.76 PTGS2 (0.45) PTGS2PTGS1LMNAKDM4EALDH1A1
SCHEMBL3924409 0.75 MAPT (0.57) LMNAKDM4EALDH1A1MAPTGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497281-C Method of preparing p-bromophenyl ether KENG ZONG (CN) 2009-06-10 CN disclosed
CN-101012157-A Method of preparing p-bromophenyl ether ZONG KENG (CN) 2007-08-08 CN disclosed