SCHEMBL17828237

SCHEMBL17828237

CN(C)CCN(C)CCN(C)CCN(C)CC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CN(C)CCN(C)CCN(C)CCN(C)C)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.72
▸ HTT P42858 1/20 0.72
▸ AR P10275 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL14085644 0.86 HIF1A (0.97) HIF1AHTTARKDM4EPOLB
SCHEMBL11316310 0.84 HIF1A (0.82) HIF1AHTTARKDM4EPOLB
SCHEMBL11316330 0.81 HIF1A (0.86) HIF1AHTTARKDM4EPOLB
SCHEMBL14922123 0.80 HTT (0.58) HIF1AHTTARKDM4EALDH1A1
SCHEMBL20063271 0.79 HTT (0.58) HIF1AHTTARKDM4EPOLB
SCHEMBL17445972 0.77 HTT (0.62) HIF1AHTTARKDM4EALDH1A1
SCHEMBL18120597 0.77 KDM4E (0.71) HIF1AHTTARKDM4EPOLB
SCHEMBL11308273 0.76 HTT (0.64) HIF1AHTTARKDM4EPOLB
SCHEMBL26525406 0.76 HTT (0.68) HIF1AHTTARKDM4EPOLB
SCHEMBL11650773 0.75 HTT (0.68) HIF1AHTTARKDM4EPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168416-A1 COATING COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-16 — — US disclosed
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