SCHEMBL9816629

SCHEMBL9816629

O=C(O)CCNCCCS(=O)(=O)CCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.45
CAMK2A Q9UQM7 1/20 0.37
LTA4H P09960 2/20 0.35
GPR84 Q9NQS5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 1/20 0.33
LMNA P02545 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
PRMT1 Q99873 1/20 0.31
FABP4 P15090 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL9816569 0.86
SCHEMBL7839615 0.84 APEX1 (0.43) APEX1LTA4HS1PR1S1PR3S1PR5
SCHEMBL9816708 0.80 RELA (0.33) TSHR
SCHEMBL10618138 0.80 FNTA (0.42) APEX1LTA4HS1PR1S1PR3S1PR5
SCHEMBL14742262 0.79 APEX1 (0.39) APEX1CAMK2ALTA4HGPR84FFAR1
SCHEMBL12540884 0.79 LTA4H (0.40) APEX1LTA4HS1PR1S1PR3S1PR5
SCHEMBL21012624 0.78 CAMK2A (0.55) CAMK2ALTA4HGPR84FFAR1FFAR4
SCHEMBL17822770 0.76 GPR84 (0.56) APEX1CAMK2AGPR84FFAR1FFAR4
SCHEMBL11696751 0.75 APEX1 (0.79) APEX1CAMK2AGPR84FFAR1FFAR4
SCHEMBL12935681 0.75 PRMT1 (0.48) CAMK2ALTA4HS1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174909-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
EP-0141776-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0076782-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-03-05 EP disclosed
EP-0076782-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0074928-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed