SCHEMBL9871688

SCHEMBL9871688

CC1C(=O)N2C(C(=O)OCc3ccccc3)=C(Cl)CC12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.51
GPBAR1 Q8TDU6 5/20 0.44
HTR2C P28335 1/20 0.43

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
SCHEMBL11335609 0.86 ELANE (0.48) ELANEGPBAR1
SCHEMBL10568991 0.84 ELANE (0.55) ELANEGPBAR1
SCHEMBL11001445 0.83 ELANE (0.46) ELANEGPBAR1
SCHEMBL9870437 0.79 ELANE (0.57) ELANEGPBAR1
SCHEMBL11063454 0.76 ELANE (0.45) ELANEHTR2C
SCHEMBL9870404 0.73 ELANE (0.46) ELANEGPBAR1
SCHEMBL11269741 0.73 ELANE (0.57) ELANEGPBAR1HTR2C
SCHEMBL11046224 0.72 ELANE (0.56) ELANEGPBAR1HTR2C
SCHEMBL11275712 0.72 ELANE (0.56) ELANEGPBAR1
SCHEMBL11274179 0.71 ELANE (0.60) ELANEGPBAR1

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