SCHEMBL14650596

SCHEMBL14650596

COc1ccc(CCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(C(C)COCC(C)N2C(=O)c3ccc4c5ccc7c8c(ccc(c9ccc(c3c49)C2=O)c85)C(=O)N(CCc2ccc(OC)c(OC)c2)C7=O)C6=O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.52
▸ MAPK1 P28482 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.49
▸ HTT P42858 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ HEXA P06865 1/20 0.44
▸ HEXB P07686 1/20 0.44
▸ PAX8 Q06710 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL14650690 0.91 LMNA (0.47) LMNAMAPK1HPGDALDH1A1HTT
SCHEMBL14650599 0.87 GSK3A (0.45) LMNAMAPK1HPGDALDH1A1SMN1; SMN2
SCHEMBL14650534 0.86 LMNA (0.44) LMNAMAPK1HPGDALDH1A1HTT
SCHEMBL14650604 0.84 TERT (0.42) LMNAMAPK1HPGDALDH1A1SMN1; SMN2
SCHEMBL14650602 0.84 TERT (0.42) HPGDALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL14650630 0.84 CYP1B1 (0.49) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL14650601 0.78 STAT3 (0.49) LMNAALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL14650588 0.78 STAT3 (0.51) LMNAMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL14650611 0.77 CYP1B1 (0.52) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL14650616 0.76 ACHE (0.41) LMNAMAPK1HPGDALDH1A1HTT

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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