SCHEMBL16693233

SCHEMBL16693233

C=C(C)C(=O)OCCOC(=O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 4/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.46
CYP17A1 P05093 1/20 0.46
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL16693226 0.86 CYP17A1 (0.49) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL16693256 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AHPGDNPC1CYP1A2
SCHEMBL25736763 0.83 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL16693298 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL1543828 0.82 RAB9A (0.67) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL4812806 0.80 THRB (0.47) SMN1; SMN2ALDH1A1LMNAKMT2ATDP1
SCHEMBL15789054 0.79 RAB9A (0.61) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL7432597 0.79 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1
SCHEMBL16693251 0.79 CYP17A1 (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1CYP17A1
SCHEMBL29867230 0.79 CYP1A2 (0.61) SMN1; SMN2ALDH1A1RAB9AHPGDNPC1

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-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed