SCHEMBL27890071

SCHEMBL27890071

O=C(N[C@@H](Cc1cnc[nH]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ HTR1D P28221 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR1E P28566 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ MDM2 Q00987 2/20 0.41
▸ HRAS P01112 1/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ MME P08473 1/20 0.40
▸ ECE1 P42892 1/20 0.40
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL15164253 0.88 MDM4 (0.48) MDM4TP53HTR1DHTR2CHTR1E
SCHEMBL20677239 0.88 MDM4 (0.56) MDM4TP53MDM2CASP3MME
SCHEMBL17269327 0.88 MDM4 (0.56) MDM4TP53MDM2CASP3MME
SCHEMBL28015870 0.88 MDM4 (0.56) MDM4TP53MDM2CASP3MME
SCHEMBL30600490 0.88 MDM4 (0.56) MDM4TP53MDM2CASP3MME
SCHEMBL30471464 0.83 MDM4 (0.52) MDM4TP53MDM2CASP3
SCHEMBL20106639 0.83 MDM4 (0.47) MDM4TP53HTR1DHTR2CHTR1E
SCHEMBL29991547 0.80 CASP3 (0.53) MDM4TP53MDM2CASP3
SCHEMBL17826038 0.79 KMT2A (0.51) MDM4TP53MDM2CASP3
SCHEMBL29992297 0.79 KMT2A (0.51) MDM4TP53MDM2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102702327-B Solid-liquid phase synthesis method for alarelin acetate GL BIOCHEM SHANGHAI CO LTD 2013-10-30 — — CN claimed
CN-102702327-A Solid-liquid phase synthesis method for alarelin acetate GL BIOCHEM SHANGHAI CO LTD 2012-10-03 — — CN claimed
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