SCHEMBL1649485

SCHEMBL1649485

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.70
▸ HSD17B10 Q99714 7/20 0.70
▸ MAPT P10636 6/20 0.70
▸ KMT2A Q03164 5/20 0.70
▸ CYP3A4 P08684 5/20 0.70
▸ SLC15A2 Q16348 3/20 0.70
▸ HPGD P15428 3/20 0.70
▸ TDP1 Q9NUW8 3/20 0.70
▸ CYP2C19 P33261 2/20 0.70
▸ BLM P54132 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ ADRA1A P35348 1/20 0.70
▸ HTR2B P41595 1/20 0.70
▸ 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
▸ PTGS1 P23219 3/20 0.60
▸ KDM4E B2RXH2 5/20 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
SCHEMBL155070 1.00 ALDH1A1 (0.70) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
Hydrochloric Acid SCHEMBL4312447 0.99 ALDH1A1 (0.69) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
Hydrochloric Acid SCHEMBL1649518 0.98 ALDH1A1 (0.68) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11625260 0.90 HSD17B10 (0.57) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11084713 0.88 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11084708 0.88 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11078184 0.86 PLCG1 (0.55) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11078185 0.86 PLCG1 (0.55) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11542683 0.86 ALDH1A1 (0.72) ALDH1A1HSD17B10MAPTKMT2ACYP3A4
SCHEMBL11739783 0.86 ALDH1A1 (0.72) 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
US-20230313325-A1 METHODS FOR DETECTION OF PATHOGENIC INFECTIONS USING RED BLOOD CELL-CONTAINING PATIENT SAMPLES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2023-10-05 — — US disclosed
EP-4146820-A1 METHODS FOR DETECTION OF PATHOGENIC INFECTIONS USING RED BLOOD CELL-CONTAINING PATIENT SAMPLES The Trustees of The University of Pennsylvania (US) 2023-03-15 — — EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
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