SCHEMBL4194075

SCHEMBL4194075

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)COCCOCCOCCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
AGTR1 P30556 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HSP90AB1 P08238 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NR3C2 P08235 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3238217 0.89 ALDH1A1 (0.43) LMNACYP1A2AGTR1ALDH1A1HSP90AB1
SCHEMBL22320938 0.84 KMT2A (0.38) LMNACYP1A2AGTR1ALDH1A1HSP90AB1
SCHEMBL30513670 0.84 KMT2A (0.38) LMNACYP1A2ALDH1A1ADRB2ADRB1
SCHEMBL2821675 0.84 KMT2A (0.38) LMNACYP1A2ALDH1A1ADRB2ADRB1
SCHEMBL4300671 0.82 KIF11 (0.42) LMNAHSP90AB1HTTSMN1; SMN2NR1H2
SCHEMBL9068000 0.81 AGTR1 (0.39) LMNACYP1A2AGTR1ALDH1A1L3MBTL1
Tetraethylene Glycol SCHEMBL2385287 0.78 ALDH1A1 (0.39) LMNAALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL8734430 0.77 NR3C2 (0.37) LMNACYP1A2AGTR1ALDH1A1HTT
SCHEMBL18704105 0.76 KIF11 (0.38) LMNAALDH1A1L3MBTL1HTTNR3C2
SCHEMBL9559236 0.76 HTT (0.38) LMNACYP1A2AGTR1ALDH1A1L3MBTL1

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
EP-0824541-B1 NUCLEIC ACID LIGAND COMPLEXES GILEAD SCIENCES INC (US) 2009-12-16 EP disclosed
US-6147204-A COMPLEX FOR TARGETING THERAPEUTIC OR DIAGNOSTIC AGENTS TO PREFERENTIAL BIOLOGICAL TARGET NEXSTAR PHARMACEUTICALS, INC. (US) 2000-11-14 US disclosed