SCHEMBL11077472

SCHEMBL11077472

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.71
▸ MAPT P10636 7/20 0.71
▸ ALDH1A1 P00352 6/20 0.71
▸ KMT2A Q03164 6/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ SLC15A2 Q16348 3/20 0.71
▸ HPGD P15428 3/20 0.71
▸ TDP1 Q9NUW8 3/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ BLM P54132 2/20 0.71
▸ CYP2C19 P33261 2/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ HTR2B P41595 1/20 0.71
▸ MEN1 O00255 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ESR1 P03372 1/20 0.60
▸ SLC22A6 Q4U2R8 1/20 0.60
▸ SLC22A8 Q8TCC7 1/20 0.60
▸ CACNA1B Q00975 1/20 0.60
▸ APBA1 Q02410 1/20 0.60

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
SCHEMBL11077469 1.00 HSD17B10 (0.71) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11079601 0.93 ALDH1A1 (0.61) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11079599 0.93 ALDH1A1 (0.61) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11308185 0.90 HSD17B10 (0.69) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11314143 0.89 HSD17B10 (0.77) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11078627 0.88 KMT2A (0.67) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11078633 0.88 KMT2A (0.67) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11084708 0.86 ALDH1A1 (0.53) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11084713 0.86 ALDH1A1 (0.53) HSD17B10MAPTALDH1A1KMT2ACYP3A4
SCHEMBL11077948 0.85 PLCG1 (0.57) HSD17B10MAPTALDH1A1KMT2ACYP3A4

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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