SCHEMBL9472679

SCHEMBL9472679

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](OC(C)C(=O)OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ MDM2 Q00987 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SELP P16109 6/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ PGR P06401 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ AR P10275 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL9472732 0.94 MAPK1 (0.46) TNFMAPK1KMT2AMEN1ALDH1A1
SCHEMBL7781941 0.91 KMT2A (0.44) TNFMAPK1KMT2AMEN1ALDH1A1
SCHEMBL9472639 0.87 POLB (0.53) TNFMAPK1KMT2AMEN1ALDH1A1
SCHEMBL9472134 0.84 MAPK1 (0.54) MAPK1KMT2AALDH1A1LMNATP53
SCHEMBL9472943 0.81 POLB (0.53) TNFMAPK1KMT2AMEN1ALDH1A1
SCHEMBL9472271 0.79 MAPK1 (0.53) TNFMAPK1KMT2AALDH1A1LMNA
SCHEMBL7226347 0.77 LMNA (0.45) TNFMAPK1KMT2AMEN1ALDH1A1
SCHEMBL8332380 0.77 POLB (0.49) KMT2ALMNATP53MDM2PTPN1
SCHEMBL11170170 0.77 MAPK1 (0.65) MAPK1ALDH1A1POLB
SCHEMBL9472933 0.77 POLB (0.51) MAPK1KMT2AALDH1A1LMNAPOLB

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-5264431-A Inhibitors for proteinkinase C CIBA-GEIGY CORP. (US) 1993-11-23 — — US disclosed
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