SCHEMBL14650706

SCHEMBL14650706

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2ccccc2)cc1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2ccccc2)cc1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2ccccc2)cc1)C5=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.37
▸ PDE6D O43924 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.35
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ ALDH1A1 P00352 8/20 0.34
▸ KDM4E B2RXH2 6/20 0.34
▸ POLB P06746 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ USP2 O75604 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 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
SCHEMBL14650677 0.94 KMT2A (0.38) KMT2ATDP1PLA2G1BATG4BALDH1A1
SCHEMBL14650638 0.91 PDE6D (0.41) MCHR1PDE6DKMT2ATDP1PLA2G1B
SCHEMBL14650721 0.89 KMT2A (0.34) KMT2ATDP1PLA2G1BATG4BALDH1A1
SCHEMBL14650634 0.84 TDP1 (0.43) KMT2ATDP1PLA2G1BATG4BALDH1A1
SCHEMBL14650726 0.83 CA12 (0.36) KMT2ATDP1ALDH1A1KDM4EPOLB
SCHEMBL14650718 0.82 CA12 (0.35) KMT2ATDP1PLA2G1BATG4BALDH1A1
SCHEMBL14650728 0.82 NPC1 (0.40) KMT2AALDH1A1KDM4EHPGDCYP1A2
SCHEMBL14650694 0.81 POLB (0.43) KMT2ATDP1ALDH1A1KDM4EPOLB
SCHEMBL14650703 0.81 TDP1 (0.41) KMT2ATDP1PLA2G1BATG4BALDH1A1
SCHEMBL14650653 0.80 MGLL (0.43) MCHR1KMT2ATDP1PLA2G1BATG4B

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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