SCHEMBL14063040

SCHEMBL14063040

O=C(Oc1ccc(C2CCC(OCC3CO3)CC2)cc1)c1ccc(OCC2CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ PKM P14618 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CYP3A4 P08684 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
SCHEMBL14063163 0.97 ALDH1A1 (0.41) ALDH1A1PKMLMNAGAATDP1
SCHEMBL14063175 0.95 HCRTR2 (0.39) ALDH1A1PKMLMNAGAASMN1; SMN2
SCHEMBL14062712 0.90 GRIA1 (0.40) ALDH1A1LMNAMAPTTP53HIF1A
SCHEMBL14062805 0.90 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL14062718 0.90 KMT2A (0.41) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL14063045 0.88 MRGPRX4 (0.35) ALDH1A1PKMLMNAGAATDP1
SCHEMBL14062935 0.87 P2RY14 (0.39) ALDH1A1LMNAMAPTTP53KMT2A
SCHEMBL14062814 0.87 MAPT (0.42) ALDH1A1PKMLMNAGAATDP1
SCHEMBL14062943 0.87 KMT2A (0.39) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL14062944 0.87 KMT2A (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 — — US disclosed
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