SCHEMBL26322241

SCHEMBL26322241

COCCOc1c(F)cc2cc(C(=O)O)c(=O)oc2c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 15/20 0.47
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ MAOB P27338 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41

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
SCHEMBL23440307 0.79 CYP1A1 (0.44) GPR35CA12CA1CA2CA9
SCHEMBL23440309 0.78 CYP1A1 (0.42) GPR35CA12CA1CA2CA9
SCHEMBL21316428 0.75 GPR35 (0.58) GPR35CA12CA1CA2CA3
SCHEMBL29406299 0.74 GPR35 (0.66) GPR35MAOBUSP2POLBHPGD
SCHEMBL737629 0.74 GPR35 (0.66) GPR35MAOBUSP2POLBHPGD
SCHEMBL21316423 0.74 GPR35 (0.46) GPR35CA12CA1CA2CA3
SCHEMBL21316424 0.72 GPR35 (0.54) GPR35CA12CA1CA2CA3
SCHEMBL17942941 0.70 MAPT (0.35) GPR35MAOB
SCHEMBL21316427 0.69 GPR35 (0.50) GPR35CA12CA1CA2CA3
SCHEMBL6416124 0.69 KDM4E (0.71) GPR35CA12CA1CA2CA3

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-20230295440-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY 2023-09-21 — — US disclosed
US-20230295440-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY 2023-09-21 — — US disclosed
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