SCHEMBL8018649

SCHEMBL8018649

C=C(C)C(=O)OC(COC)(OCC)OCC.C=C(CCCOc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34

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
SCHEMBL8023838 0.86 ALOX5 (0.36) HPGDNPC1LMNAMAPK1SMN1; SMN2
SCHEMBL8006519 0.82 POLB (0.41) MEN1KMT2ANPC1TSHRLMNA
SCHEMBL269871 0.76 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL15255 0.75 KCNA3 (0.54) MEN1HPGDKMT2ANPC1TSHR
SCHEMBL3861027 0.75 THRB (0.54) NPC1TSHRLMNAALOX15MAPK1
SCHEMBL7062969 0.74 ALDH1A1 (0.39) MEN1HPGDKMT2ANPC1TSHR
SCHEMBL8006786 0.72 POLB (0.49) MEN1HPGDKMT2ANPC1TSHR
SCHEMBL819985 0.71 HDAC1 (0.58) MEN1KMT2ASMN1; SMN2HDAC1HDAC2
SCHEMBL7430087 0.70 TDP1 (0.56) MEN1HPGDKMT2ANPC1TSHR
SCHEMBL28009381 0.70 HPGD (0.55) MEN1HPGDKMT2ANPC1TSHR

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
WO-2000034804-A1 HIGH REFRACTIVE INDEX HYDROGEL COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-06-15 WO disclosed