SCHEMBL11084708

SCHEMBL11084708

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ SLC15A2 Q16348 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ BLM P54132 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PTGS1 P23219 3/20 0.52
▸ PLCG1 P19174 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46

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
SCHEMBL11084713 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL11078184 0.91 PLCG1 (0.55) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL11078185 0.91 PLCG1 (0.55) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL11079599 0.88 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL11079601 0.88 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL1649485 0.88 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL155070 0.88 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
Hydrochloric Acid SCHEMBL4312447 0.87 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL11078285 0.87 CYP3A4 (0.45) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
Hydrochloric Acid SCHEMBL1649518 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTHSD17B10SLC15A2

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