SCHEMBL15480487

SCHEMBL15480487

Cc1cc(C)cc(OCCCS(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.40
F2 P00734 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
PLA2G2A P14555 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18380849 0.85 TP53 (0.44) ALOX15TP53KDM4EF2
SCHEMBL18482201 0.83 TP53 (0.44) ALOX15TP53ALDH1A1KDM4EF2
SCHEMBL10574067 0.83 SMN1; SMN2 (0.52) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL10576032 0.81 L3MBTL1 (0.53) ALOX15ALDH1A1KDM4EPOLBMEN1
SCHEMBL14560509 0.81 PLA2G2A (0.49) ALOX15TP53ALDH1A1KDM4EPOLB
SCHEMBL13478224 0.80 TP53 (0.39) ALOX15TP53ALDH1A1KDM4EF2
SCHEMBL10575222 0.78 KDM4E (0.53) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL4872642 0.78 ALDH1A1 (0.54) ALOX15TP53ALDH1A1KDM4EPOLB
SCHEMBL11473041 0.78 CNR1 (0.42) ALOX15ALDH1A1KDM4EPOLBMEN1
SCHEMBL14571063 0.78 RARB (0.40) ALOX15ALDH1A1KDM4EPOLBNPC1

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
US-20140051815-A1 ORGANIC SULFONIC ACID COMPOUND, DOPANT HAVING SAME, AND CONDUCTIVE POLYMER COMPLEX HAVING THE DOPANT AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2014-02-20 US disclosed
US-20140051815-A1 ORGANIC SULFONIC ACID COMPOUND, DOPANT HAVING SAME, AND CONDUCTIVE POLYMER COMPLEX HAVING THE DOPANT AJOU UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2014-02-20 US disclosed