SCHEMBL30728875

SCHEMBL30728875

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MME P08473 6/20 0.40
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSD P07339 2/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ PLA2G5 P39877 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ SDCBP O00560 1/20 0.35
▸ SDC2 P34741 1/20 0.35

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
SCHEMBL29694604 0.89 PDCD1LG2 (0.44) MMENMT2NMT1TGFBR1
SCHEMBL29478036 0.87 NMT1 (0.43) NPSR1NMT2NMT1
SCHEMBL16401109 0.86 ALDH1A1 (0.47) CTSDALDH1A1
SCHEMBL6891224 0.86 OPRM1 (0.38) MMENMT2NMT1
SCHEMBL6891220 0.86 OPRM1 (0.38) MMENMT2NMT1
SCHEMBL30052788 0.86 CTSD (0.45) NPSR1MMECTSDALDH1A1CTSC
SCHEMBL9637025 0.86 GNPAT (0.40) NPSR1MMESMN1; SMN2CTSDCTSC
SCHEMBL6891205 0.85 OPRD1 (0.37) NPSR1NMT2NMT1
SCHEMBL6891219 0.85 OPRD1 (0.37) NPSR1NMT2NMT1
SCHEMBL30434998 0.84 ECE1 (0.47) NPSR1MMESMN1; SMN2CTSDCTSC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851694-B1 High fidelity in vitro transcription MODERNATX, INC. (US) 2023-12-26 — — US disclosed
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