SCHEMBL5454029

SCHEMBL5454029

CCC(C)(O)C(=O)c1ccc(Oc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
ELANE P08246 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
PARP10 Q53GL7 6/20 0.41
PARP15 Q460N3 2/20 0.41
KMT2A Q03164 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP16 Q8N5Y8 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
ESRRA P11474 1/20 0.39
MMP13 P45452 1/20 0.38

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
SCHEMBL195348 0.89 HPGD (0.56) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1554611 0.88 HPGD (0.44) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
Formaldehyde SCHEMBL28801121 0.85 HPGD (0.52) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
Propionaldehyde SCHEMBL28407863 0.85 HPGD (0.44) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL13672802 0.84 ELANE (0.40) HPGDMAPTALDH1A1ELANEHTT
SCHEMBL17263293 0.84 ELANE (0.50) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL31393464 0.82 PARP10 (0.56) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1554442 0.82 PARP10 (0.56) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4083719 0.81 KMT2A (0.47) ALDH1A1ELANEKMT2A
SCHEMBL17540914 0.81 RAB9A (0.38) HPGDRAB9AMAPTSMN1; SMN2ALDH1A1

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-20070135531-A1 White solid photoinitiator in the form of powder and preparation thereof IGM GROUP BV (NL) 2007-06-14 US claimed