SCHEMBL7478797

SCHEMBL7478797

CN(C(C)(C)C)S(=O)(=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
HSD11B1 P28845 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL7479619 0.80 ALDH1A1 (0.33)
SCHEMBL21798314 0.77 MEN1 (0.36) POLBTSHR
SCHEMBL4248401 0.75 POLB (0.48) POLBCYP2C19
SCHEMBL12144393 0.72 CA1 (0.33)
SCHEMBL17323652 0.70 POLB (0.42) POLBCYP2C19
SCHEMBL18135520 0.69
SCHEMBL28632556 0.67 POLB (0.39) POLB
SCHEMBL28515210 0.65 POLB (0.48) POLBHSD11B1HMGCRCHRM1TBXA2R
SCHEMBL28069326 0.65 POLB (0.48) POLBCYP2C19
SCHEMBL10138961 0.65 LMNA (0.35) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975594-B1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LTD (GB) 2002-09-18 EP disclosed
US-6281357-B1 HEADACHE THERAPY PFIZER INC 2001-08-28 US disclosed
EP-0975594-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES Pfizer Limited (GB) 2000-02-02 EP disclosed
WO-1999002493-A1 PROCESS FOR THE PRODUCTION OF INDOLE DERIVATIVES PFIZER LIMITED (GB) 1999-01-21 WO disclosed