SCHEMBL14650685

SCHEMBL14650685

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCc1ccccc1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCc1ccccc1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCc1ccccc1)C5=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ STAT3 P40763 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ TERT O14746 2/20 0.37
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ BCHE P06276 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ APP P05067 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL14650611 0.91 CYP1B1 (0.52) CYP1B1TDP1L3MBTL1STAT3HIF1A
SCHEMBL14650669 0.88 STAT3 (0.44) TDP1L3MBTL1STAT3HIF1AALDH1A1
SCHEMBL14650664 0.85 STAT3 (0.42) STAT3HIF1AALDH1A1MAPTRAB9A
SCHEMBL14650700 0.85 TERT (0.37) CYP1B1STAT3HIF1AALDH1A1MAPT
SCHEMBL14650630 0.84 CYP1B1 (0.49) CYP1B1TDP1L3MBTL1STAT3HIF1A
SCHEMBL14650677 0.81 KMT2A (0.38) TDP1L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL14650705 0.81 TERT (0.43) STAT3HIF1AALDH1A1MEN1KMT2A
SCHEMBL14650690 0.81 LMNA (0.47) ALDH1A1MAPTRAB9APOLBSMN1; SMN2
SCHEMBL14650514 0.80 CYP1B1 (0.43) CYP1B1TDP1L3MBTL1STAT3HIF1A
SCHEMBL14650683 0.79 STAT3 (0.37) TDP1L3MBTL1STAT3HIF1AALDH1A1

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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