SCHEMBL11079376

SCHEMBL11079376

CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)[C@@H]2SC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ HSD17B10 Q99714 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ SLC15A2 Q16348 3/20 0.44
▸ BLM P54132 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ PTGS1 P23219 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL11081310 0.93 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11220857 0.89 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11220860 0.89 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11078285 0.88 CYP3A4 (0.45) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11116290 0.86 ELANE (0.40) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11079599 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11079601 0.85 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11080378 0.82 CTDSP1 (0.48) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11732663 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11115789 0.81 PTGS1 (0.48) ALDH1A1HSD17B10MAPTKMT2ACYP3A4

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
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