Sugi Predict

Sugi Predict / Compounds / SCHEMBL14650690

SCHEMBL14650690

SCHEMBL14650690

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccc(OC)c(OC)c1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccc(OC)c(OC)c1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCc1ccc(OC)c(OC)c1)C5=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HEXA P06865 1/20 0.39
▸ HEXB P07686 1/20 0.39
▸ PAX8 Q06710 1/20 0.38

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
SCHEMBL14650596 0.91 LMNA (0.52) LMNAMAPK1HPGDALDH1A1HTT
SCHEMBL14650700 0.86 TERT (0.37) LMNAMAPK1HPGDALDH1A1HTT
SCHEMBL14650669 0.82 STAT3 (0.44) LMNAMAPK1ALDH1A1HTTSMN1; SMN2
SCHEMBL14650664 0.81 STAT3 (0.42) LMNAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL14650685 0.81 CYP1B1 (0.46) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL14650534 0.80 LMNA (0.44) LMNAMAPK1HPGDALDH1A1HTT
SCHEMBL14650599 0.79 GSK3A (0.45) LMNAMAPK1HPGDALDH1A1SMN1; SMN2
SCHEMBL14650630 0.77 CYP1B1 (0.49) ALDH1A1SMN1; SMN2MAPTRAB9APOLB
SCHEMBL14650604 0.76 TERT (0.42) LMNAMAPK1HPGDALDH1A1SMN1; SMN2
SCHEMBL14650602 0.76 TERT (0.42) HPGDALDH1A1SMN1; SMN2MAPTRAB9A

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 3 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-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
Send feedback