SCHEMBL11078117

SCHEMBL11078117

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)[C@@H]2[S@@+]([O-])C1=[N+]=[N-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.33
▸ ALDH1A1 P00352 7/20 0.33
▸ HSD17B10 Q99714 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ SLC15A2 Q16348 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ LMNA P02545 3/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ NR1I2 O75469 1/20 0.31

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
SCHEMBL11078114 1.00 PTGS1 (0.33) PTGS1ALDH1A1HSD17B10HPGDMAPT
SCHEMBL11073574 0.94 ALDH1A1 (0.36) PTGS1ALDH1A1HSD17B10HPGDMAPT
SCHEMBL11073575 0.94 ALDH1A1 (0.36) PTGS1ALDH1A1HSD17B10HPGDMAPT
SCHEMBL11077988 0.89 PTGS1 (0.37) PTGS1CYP3A4
SCHEMBL11077991 0.89 PTGS1 (0.37) PTGS1CYP3A4
SCHEMBL11080150 0.89 ELANE (0.30) PTGS1
SCHEMBL11080145 0.89 ELANE (0.30) PTGS1
SCHEMBL11104006 0.88 CTSB (0.33) PTGS1
SCHEMBL11098887 0.87 ALDH1A1 (0.35) PTGS1ALDH1A1HSD17B10HPGDMAPT
SCHEMBL11077532 0.84 CTDSP1 (0.37) ALDH1A1HPGDCYP2C19LMNAKDM4E

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 3 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
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 — — EP disclosed
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