SCHEMBL11654085

SCHEMBL11654085

CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)C(NC(=O)c3ccccc3CN)[C@H]2SC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.72
▸ KMT2A Q03164 3/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPK1 P28482 2/20 0.45
▸ RAB9A P51151 1/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ BLM P54132 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLC15A2 Q16348 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL11654089 1.00 PLCG1 (0.72) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11677903 0.90 PLCG1 (0.78) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11677901 0.90 PLCG1 (0.78) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11654441 0.87 PLCG1 (0.81) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11097617 0.87 PLCG1 (0.81) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11771169 0.85 PLCG1 (0.81) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11672611 0.84 PLCG1 (0.79) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11672615 0.84 PLCG1 (0.79) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11648874 0.84 PLCG1 (0.71) PLCG1KMT2ACACNA1BAPBA1ALDH1A1
SCHEMBL11648872 0.84 PLCG1 (0.71) PLCG1KMT2ACACNA1BAPBA1ALDH1A1

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-4091214-A ALPHA-HYDROXY CARBOXYLIC ACID ELI LILLY AND COMPANY (US) 1978-05-23 — — US disclosed
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