SCHEMBL11084586

SCHEMBL11084586

CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(C(=O)OCc3ccc4ccccc4c3)c3ccccc3)[C@H]2[S+]([O-])C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ SLC15A2 Q16348 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MEN1 O00255 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL11084406 0.83 PTGS1 (0.35) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11084374 0.83 PTGS1 (0.35) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11081308 0.83 HSD17B10 (0.44) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11075187 0.83 KMT2A (0.60) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11075190 0.83 KMT2A (0.60) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11078750 0.79 PLCG1 (0.39) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11084610 0.79 PTGS1 (0.44) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11081835 0.79 CTSS (0.46) HSD17B10ALDH1A1MAPTKMT2ASLC15A2
SCHEMBL11077758 0.78 MAPT (0.40) HSD17B10MAPTKMT2ATDP1CTSB
SCHEMBL11076122 0.78 ALDH1A1 (0.38) HSD17B10ALDH1A1MAPTKMT2ASLC15A2

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
EP-0040494-B1 CARBAPENAMS AND CARBAPEN-2-EMS AND PROCESS THEREFOR PFIZER INC. (US) 1984-02-15 — — EP disclosed
US-4429128-A CARBAPENICILLINS, THIENAMYCINS, BACTERICIDES PFIZER INC. (US) 1984-01-31 — — US disclosed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 — — US disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 — — EP disclosed
Send feedback