SCHEMBL11526700

SCHEMBL11526700

NC1(C[C]=O)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL14964762 0.75 TSHR (0.30) TSHRCYP2C19
SCHEMBL25216583 0.75
SCHEMBL18600046 0.74 ALDH1A1 (0.35)
Hydrochloric Acid SCHEMBL8903575 0.72 ALDH1A1 (0.33)
SCHEMBL1352854 0.70
SCHEMBL14336131 0.70 USP2 (0.48) TSHR
SCHEMBL10535581 0.69 USP2 (0.31) TSHR
SCHEMBL3284047 0.69 ALDH1A1 (0.33)
SCHEMBL3128723 0.68
SCHEMBL7674191 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172199-A ISOOXACEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4171439-A Antibacterial analogs of isocephalosporins BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US disclosed
US-4166906-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US disclosed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US disclosed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US disclosed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US disclosed
US-4068078-A ANTIBIOTICS BRISTOL-MYERS CORPORATION (US) 1978-01-10 US disclosed
US-4068080-A BETA-LACTAM ANTIBIOTICS, CEPHALOSPORIN ANALOGS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4068075-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4068066-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4066831-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4066832-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4065622-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US disclosed