SCHEMBL11103288

SCHEMBL11103288

CC1=C(C(=O)OCc2ccc3ccccc3c2)N2C(=O)C(NC(=O)C(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ SLC15A2 Q16348 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ BLM P54132 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ PTGS1 P23219 1/20 0.46
▸ 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
SCHEMBL11075187 0.89 KMT2A (0.60) PLCG1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL11075190 0.89 KMT2A (0.60) PLCG1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL11116290 0.88 ELANE (0.40) PLCG1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL11079601 0.86 ALDH1A1 (0.61) PLCG1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL11079599 0.86 ALDH1A1 (0.61) PLCG1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL11077945 0.85 PLCG1 (0.57) PLCG1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL11077948 0.85 PLCG1 (0.57) PLCG1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL11077472 0.84 HSD17B10 (0.71) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL11077469 0.84 HSD17B10 (0.71) ALDH1A1KMT2AMAPTHSD17B10SLC15A2
SCHEMBL11084708 0.82 ALDH1A1 (0.53) PLCG1ALDH1A1KMT2AMAPTHSD17B10

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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