SCHEMBL27629206

SCHEMBL27629206

C=CCc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ FFAR4 Q5NUL3 1/20 0.42
▸ MMP2 P08253 3/20 0.41
▸ MMP7 P09237 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP14 P50281 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PPARA Q07869 2/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ STS P08842 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ APLNR P35414 1/20 0.39
▸ CYP1A2 P05177 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
SCHEMBL8157006 0.85 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL251540 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL28813572 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL2000362 0.79 STS (0.44) ALDH1A1MMP2MMP7MMP9MMP14
SCHEMBL3838706 0.78 STS (0.63) ALDH1A1SMN1; SMN2MMP2MMP7MMP9
SCHEMBL4296258 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL575589 0.77 CA2 (0.52) ALDH1A1MMP2MMP7MMP9MMP14
SCHEMBL21349987 0.76 KDM4E (0.50) ALDH1A1SMN1; SMN2MMP2MMP7MMP9
SCHEMBL5543941 0.76 PPARA (0.44) ALDH1A1MMP2MMP7MMP9MMP14
SCHEMBL11042589 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103343157-A Bacterial culture solution for detecting pathogenic bacteria in blood SHI YUBO 2013-10-09 — — CN claimed
CN-102747132-A Aerobic bacterial culture solution for machines YUBO SHI 2012-10-24 — — CN claimed
CN-102257160-A Methods and reagents for reducing incubation time in hybridization assays SIEMENS HEALTHCARE DIAGNOSTICS 2011-11-23 — — CN claimed
CN-101155835-A Process for preparing high molar mass polymers HERCULES INC (US) 2008-04-02 — — CN claimed
CN-103343157-A Bacterial culture solution for detecting pathogenic bacteria in blood SHI YUBO 2013-10-09 — — CN disclosed
CN-102747132-A Aerobic bacterial culture solution for machines YUBO SHI 2012-10-24 — — CN disclosed
CN-102257160-A Methods and reagents for reducing incubation time in hybridization assays SIEMENS HEALTHCARE DIAGNOSTICS 2011-11-23 — — CN disclosed
CN-102015925-A Encapsulated nanoscale particles of organic pigments XEROX CORP 2011-04-13 — — CN disclosed
CN-101155835-A Process for preparing high molar mass polymers HERCULES INC (US) 2008-04-02 — — CN disclosed
CN-100351279-C Preparation of monodispersion high molecular nanometer sphere using envelop virus as template UNIV TIANJIN TECHNOLOGY (CN) 2007-11-28 — — CN disclosed
CN-1800229-A Preparation of monodispersion high molecular nanometer sphere using envelop virus as template UNIV TIANJIN TECHNOLOGY (CN) 2006-07-12 — — CN disclosed
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