SCHEMBL8675041

SCHEMBL8675041

COC(=O)CCSc1ccccc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3G Q9HC16 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GSTP1 P09211 1/20 0.42
▸ GSTM2 P28161 1/20 0.42
▸ CYP4F2 P78329 2/20 0.42
▸ CYP4A11 Q02928 2/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 6/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL4840587 0.85 CYP4F2 (0.61) APOBEC3GPOLBTSHRCYP4F2CYP4A11
SCHEMBL10588609 0.81 LMNA (0.47) HSD17B10POLBGSTP1GSTM2MTNR1A
SCHEMBL2116085 0.80 CYP1A2 (0.54) HSD17B10POLBGSTP1GSTM2ALDH1A1
SCHEMBL7776841 0.78 HSD17B10 (0.72) HSD17B10POLBTSHRALDH1A1HPGD
SCHEMBL10175060 0.75 PTGS2 (0.51) HSD17B10POLBTSHRMTNR1AMTNR1B
SCHEMBL10504984 0.75 HSD17B10 (0.59) HSD17B10POLBTSHRCYP4F2CYP4A11
SCHEMBL28897181 0.75 CYP1A2 (0.59) POLBTSHRMTNR1AMTNR1BALDH1A1
SCHEMBL26942237 0.74 APOBEC3G (0.57) APOBEC3GALDH1A1PTGS2
SCHEMBL12255257 0.73 PTGS2 (0.55) HSD17B10POLBTSHRALDH1A1HPGD
SCHEMBL17045927 0.73 EPHX2 (0.52) HSD17B10POLBMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789584-A Substituted-pyridinyl cephalosporin antibiotics active against methicillin resistant bacteria MICROCIDE PHARMACEUTICALS, INC. (US) 1998-08-04 — — US disclosed
US-5756493-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1998-05-26 — — US disclosed
US-5698547-A 7-(ACYLAMINO)-3-(ARYLTHIO)-3-CEPHEM-4-CARBOXYLIC ACIDS WHICH EXHIBIT ANTIBACTERIAL ACTIVITY AGAINST ORGANISMS RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-12-16 — — US disclosed
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 — — US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 — — US disclosed
EP-0754184-A1 CEPHALOSPORIN ANTIBIOTICS Microcide Pharmaceuticals, Inc. (US) 1997-01-22 — — EP disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 — — US disclosed
WO-1996038450-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1996-12-05 — — WO disclosed
WO-1995026966-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1995-10-12 — — WO disclosed
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