SCHEMBL8714724

SCHEMBL8714724

CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@@H]2SC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.60
KDM4E B2RXH2 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 1/20 0.60
CACNA1B Q00975 3/20 0.53
APBA1 Q02410 3/20 0.53
MAPK1 P28482 2/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
CYP2C19 P33261 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SLC15A2 Q16348 2/20 0.52
BLM P54132 2/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
MEN1 O00255 3/20 0.50
ESR1 P03372 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL9755513 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL10781630 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL3989912 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL10781628 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL3989914 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL6275649 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL106017 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
SCHEMBL9755481 1.00 HSD17B10 (0.60) HSD17B10KDM4ETDP1TSHRCACNA1B
Hydrochloric Acid SCHEMBL9344359 0.98 HSD17B10 (0.59) HSD17B10KDM4ETDP1TSHRCACNA1B
Hydrochloric Acid SCHEMBL11483489 0.98 HSD17B10 (0.59) HSD17B10KDM4ETDP1TSHRCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593112-B1 Detection of antibiotics GIST BROCADES NV (NL) 1998-08-26 EP disclosed
US-5434053-A Cephalosporin antibiotics by detection by labeling with albumin GIST-BROCADES N.V. (NL) 1995-07-18 US disclosed
EP-0593112-A1 Detection of antibiotics GIST-BROCADES N.V. (NL) 1994-04-20 EP disclosed
EP-0137534-B1 ONE-POT PROCESS FOR PREPARATION OF 7BETA-AMINO- AND 7BETA-ACYLAMINO- 3-SUBSTITUTED METHYL-3-CEPHEM-4-CARBOXYLIC ACID DERIVATIVES AND PROCESS FOR DEOXYGENATION OF 7BETA-ACYLAMINO-3-CEPHEM-4-CARBOXYLIC ACID 1-OXIDE DERIVATIVES GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed
US-4695627-A PHOSPHORUS PENTACHLORIDE, OLEFIN GIST-BROCADES N.V. (NL) 1987-09-22 US disclosed
US-4223132-A Selective conversion of benzyl alcohol carboxylates to the free acid form SHIONOGI & CO., LTD. (JP) 1980-09-16 US disclosed
US-4113591-A BROMINATION IN PRESENCE OF ULTRAVIOLET RADIATION, VISIBLE LIGHT, OR GAMMA RAYS GLAXO LABORATORIES LIMITED (GB) 1978-09-12 US disclosed
US-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 US disclosed
US-4048155-A OXIDATION OF 7-BENZYLIDENEAMINO DERIVATIVE, REACTION WITH ALCOHOL SANKYO COMPANY LIMITED (JA) 1977-09-13 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-4003896-A Method of preparing a sparingly soluble complex of cephalexin NOVO INDUSTRI A/S (DK) 1977-01-18 US disclosed
US-3978053-A Process for producing cephalosporins SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-08-31 US disclosed