SCHEMBL8077449

SCHEMBL8077449

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(COc3ccc(CC)cc3OCc3ccc(-c4ccc(OCCCCCCCCOC(=O)C=C)cc4)nc3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
THRB P10828 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
CSF1R P07333 1/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8077421 0.93 SMN1; SMN2 (0.48) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL8067467 0.91 MAPT (0.39) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL8729302 0.90 MAPT (0.44) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL8724364 0.90 MAPT (0.47) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL8728075 0.89 MAPT (0.45) MAPTSMN1; SMN2TP53RAB9ANPC1
SCHEMBL8075449 0.89 MAPT (0.43) MAPTTHRBHPGDALDH1A1L3MBTL1
SCHEMBL8081986 0.87 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBHPGDALDH1A1
SCHEMBL8077327 0.87 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBHPGDALDH1A1
SCHEMBL8080490 0.87 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBHPGDALDH1A1
SCHEMBL8077341 0.87 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBHPGDALDH1A1

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
EP-0755918-B1 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives ROLIC AG (CH) 2000-09-06 EP disclosed
US-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed
EP-0755918-A2 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives Rolic AG (CH) 1997-01-29 EP disclosed