SCHEMBL11078633

SCHEMBL11078633

CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(C(=O)OCc3ccccc3)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.67
▸ MAPT P10636 5/20 0.67
▸ HSD17B10 Q99714 4/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ SLC15A2 Q16348 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ BLM P54132 2/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ HTR2B P41595 1/20 0.67
▸ MEN1 O00255 3/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ SLC22A6 Q4U2R8 1/20 0.60
▸ SLC22A8 Q8TCC7 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ PTGS1 P23219 1/20 0.57
▸ CACNA1B Q00975 1/20 0.57

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
SCHEMBL11078627 1.00 KMT2A (0.67) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11077948 0.91 PLCG1 (0.57) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11077945 0.91 PLCG1 (0.57) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11075190 0.91 KMT2A (0.60) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11075187 0.91 KMT2A (0.60) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11310811 0.88 ALDH1A1 (0.72) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11077472 0.88 HSD17B10 (0.71) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11077469 0.88 HSD17B10 (0.71) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11308185 0.87 HSD17B10 (0.69) KMT2AMAPTHSD17B10ALDH1A1SLC15A2
SCHEMBL11078184 0.87 PLCG1 (0.55) KMT2AMAPTHSD17B10ALDH1A1SLC15A2

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 6 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
US-4304717-A Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1981-12-08 — — US disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 — — EP disclosed
US-4171303-A Process for the preparation of reactive penicillanic acid and cephalosporanic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1979-10-16 — — US disclosed
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