SCHEMBL9871782

SCHEMBL9871782

Cc1ccc(C(O)C(F)(F)F)c(S(=O)(=O)OC2=C(C(=O)OCc3ccccc3)N3C(=O)CC3C2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.44
HPGD P15428 1/20 0.34
GPBAR1 Q8TDU6 5/20 0.34
TP53 P04637 2/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL10571228 0.90 ELANE (0.46) ELANEHPGDGPBAR1TP53
SCHEMBL9871648 0.88 ELANE (0.44) ELANEHPGDGPBAR1TP53
SCHEMBL9870483 0.83
SCHEMBL11003132 0.82 ELANE (0.44) ELANEHPGDGPBAR1TP53
SCHEMBL10570187 0.81 ELANE (0.51) ELANEHPGDGPBAR1
SCHEMBL9870805 0.80 ELANE (0.48) ELANEHPGDGPBAR1
SCHEMBL11175452 0.76 ELANE (0.54) ELANEGPBAR1
SCHEMBL9870175 0.72 ELANE (0.58) ELANEGPBAR1
SCHEMBL9871240 0.71 TDP1 (0.47) ELANE
SCHEMBL9870539 0.70 ELANE (0.56) ELANEHPGDGPBAR1

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
US-5021566-A Carbapenicillins; preservatives; antiseptics; grampositive and gram negative bacteria MERCK & CO. INC. (US) 1991-06-04 US disclosed
US-4745188-A ANTIBIOTICS, SULFIDING MERCK & CO., INC. (US) 1988-05-17 US disclosed
US-4707547-A AMINATION TO FORM ANTIBIOTIC MERCK & CO., INC. (US) 1987-11-17 US disclosed
US-4530841-A Antibiotic containing hetero ring MERCK & CO., INC. (US) 1985-07-23 US disclosed