SCHEMBL21171893

SCHEMBL21171893

O=S(=O)(O)CCCCCc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ HDAC6 Q9UBN7 4/20 0.43
▸ CFTR P13569 1/20 0.43
▸ MGAM O43451 1/20 0.42
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40

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
SCHEMBL11597016 0.86 CYP1A2 (0.50) TRPV1CYP1A2HDAC6CFTRMGAM
SCHEMBL10772750 0.82 TRPV1 (0.46) TRPV1CYP1A2HDAC6CFTRMGAM
SCHEMBL9467100 0.80 ALDH1A1 (0.46) TRPV1CYP1A2HDAC6CFTRMGAM
SCHEMBL10772707 0.80 CYP1A2 (0.44) TRPV1CYP1A2HDAC6CFTRMGAM
SCHEMBL7832253 0.80 MAPT (0.57) TRPV1CYP1A2HDAC6CFTRMGAM
SCHEMBL1442048 0.80 DAO (0.49) HDAC6HDAC3RAB9A
SCHEMBL21171726 0.80 TRPV1 (0.51) TRPV1HDAC6CFTRMGAMHDAC3
SCHEMBL7821089 0.80 MAPT (0.57) TRPV1CYP1A2HDAC6CFTRMGAM
SCHEMBL21171963 0.80 CYP1A2 (0.43) CYP1A2HDAC6CFTRMGAMPTGES
SCHEMBL21171889 0.80 CYP1A2 (0.51) CYP1A2HDAC6MGAMHDAC3HDAC4

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-11353461-B2 Methods of enhancing MS detection of tagged glycans WATERS TECHNOLOGIES CORPORATION (US) 2022-06-07 — — US disclosed
US-20190219587-A1 METHODS OF ENHANCING MS DETECTION OF TAGGED GLYCANS WATERS TECHNOLOGIES CORPORATION 2019-07-18 — — US disclosed
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