SCHEMBL14650700

SCHEMBL14650700

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccc(F)cc1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccc(F)cc1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccc(F)cc1)C5=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.37
▸ STAT3 P40763 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 3/20 0.33

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
SCHEMBL14650602 0.90 TERT (0.42) TERTSTAT3HIF1AALDH1A1MAPT
SCHEMBL14650690 0.86 LMNA (0.47) ALDH1A1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL14650685 0.85 CYP1B1 (0.46) TERTSTAT3HIF1AALDH1A1MAPT
SCHEMBL14650721 0.84 KMT2A (0.34) TERTALDH1A1MAPTKMT2ARAB9A
SCHEMBL14650669 0.84 STAT3 (0.44) TERTSTAT3HIF1AALDH1A1MAPT
SCHEMBL14650630 0.82 CYP1B1 (0.49) TERTSTAT3HIF1AALDH1A1MAPT
SCHEMBL14650664 0.82 STAT3 (0.42) TERTSTAT3HIF1AALDH1A1MAPT
SCHEMBL14650604 0.80 TERT (0.42) TERTSTAT3HIF1AALDH1A1MAPT
SCHEMBL14650697 0.79 ESR1 (0.32) KMT2APARK7
SCHEMBL14650599 0.79 GSK3A (0.45) TERTSTAT3HIF1AALDH1A1MAPT

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
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
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