SCHEMBL11528407

SCHEMBL11528407

CCc1ccc(C(=O)O)c(N(CC)CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
METAP2 P50579 2/20 0.41
HCAR3 P49019 1/20 0.41
PPARA Q07869 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 2/20 0.40
PPARG P37231 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.38
SLC16A3 O15427 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC16A1 P53985 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1200735 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8378141 0.79 ALDH1A1 (0.53) TP53HTTALDH1A1MEN1KMT2A
SCHEMBL1287171 0.77 ALDH1A1 (0.54) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7476029 0.77 TP53 (0.46) TP53HTTALDH1A1MEN1KMT2A
SCHEMBL3385017 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL28512310 0.76 ALDH1A1 (0.52) HTTALDH1A1MEN1KMT2ASMN1; SMN2
Bromide SCHEMBL6292927 0.75 MEN1 (0.33) TP53HTTALDH1A1MEN1KMT2A
SCHEMBL2343149 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1668024 0.74 TP53 (0.53) TP53HTTALDH1A1MEN1KMT2A
SCHEMBL11055698 0.74 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A

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-4132774-A SUNSCREEN AGENTS GAF CORPORATION (US) 1979-01-02 US disclosed