SCHEMBL8360319

SCHEMBL8360319

CC(C)(C)c1c(CCC(N)=O)ccc(O)c1I

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.33
MTNR1A P48039 1/20 0.33
CAPN1 P07384 1/20 0.32
MPO P05164 2/20 0.31
POLB P06746 1/20 0.31
IAPP P10997 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PRKCI P41743 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5502695 0.86 POLB (0.44) POLBALDH1A1
SCHEMBL7754793 0.86 TP53 (0.42) TP53RAB9AKLF5SMN1; SMN2MTNR1A
SCHEMBL55627 0.71 POLB (0.47) POLBALDH1A1
SCHEMBL30337061 0.71 POLB (0.47) POLBALDH1A1
SCHEMBL21956067 0.70 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1
Methane SCHEMBL9285119 0.70 POLB (0.46) POLBALDH1A1
SCHEMBL5690773 0.70 GAA (0.49) TP53POLBALDH1A1
SCHEMBL11051603 0.70 IAPP (0.46) IAPPPRKCIALDH1A1
SCHEMBL1726385 0.69 NR1I2 (0.46) TP53RAB9AKLF5SMN1; SMN2ALDH1A1
SCHEMBL28591591 0.69 POLB (0.45) SMN1; SMN2POLBALDH1A1

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-1999027045-A1 USE OF A POLYHYDROXY FATTY ACID AMIDE COMPOUND AS A SOFTENING COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1999-06-03 WO disclosed