SCHEMBL11084374

SCHEMBL11084374

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ CTSB P07858 2/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.32
▸ HSD17B10 Q99714 5/20 0.32
▸ TDP1 Q9NUW8 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ SLC15A2 Q16348 2/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ TACR1 P25103 2/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL11084406 1.00 PTGS1 (0.35) PTGS1CTSBCTSSCTSKALDH1A1
SCHEMBL11112544 0.92 PTGS1 (0.38) PTGS1ALDH1A1HSD17B10TDP1MAPT
SCHEMBL11104006 0.90 CTSB (0.33) PTGS1CTSBCTSSCTSKCACNA1B
SCHEMBL11073575 0.84 ALDH1A1 (0.36) PTGS1ALDH1A1HSD17B10TDP1MAPT
SCHEMBL11073574 0.84 ALDH1A1 (0.36) PTGS1ALDH1A1HSD17B10TDP1MAPT
SCHEMBL11084586 0.83 HSD17B10 (0.39) PTGS1CTSBCTSSCTSKALDH1A1
SCHEMBL11098887 0.82 ALDH1A1 (0.35) PTGS1ALDH1A1HSD17B10TDP1MAPT
SCHEMBL11082044 0.81 PTGS1 (0.36) PTGS1ALDH1A1CYP3A4L3MBTL1CTDSP1
SCHEMBL11082041 0.81 PTGS1 (0.36) PTGS1ALDH1A1CYP3A4L3MBTL1CTDSP1
SCHEMBL11080922 0.80 CTSS (0.43) PTGS1CTSBCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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