SCHEMBL28291082

SCHEMBL28291082

CCCCc1ccccc1C(=O)O.[PbH2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.59
SLC16A3 O15427 4/20 0.51
TSHR P16473 2/20 0.50
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
KAT8 Q9H7Z6 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
GABRP O00591 1/20 0.47

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
SCHEMBL165530 0.98 FOLH1 (0.61) FOLH1SLC16A3TSHRBIDMCL1
SCHEMBL28424732 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
SCHEMBL7148303 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
SCHEMBL27820480 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
Bromide SCHEMBL3174157 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
SCHEMBL28769566 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
Hydrochloric Acid SCHEMBL3181030 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
Water SCHEMBL5026679 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
SCHEMBL27282438 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1
SCHEMBL27718504 0.96 FOLH1 (0.59) FOLH1SLC16A3TSHRBIDMCL1

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
CN-105208999-B 3- (4-isobutyl-2-methylphenyl) propanal as fragrance ingredient 奇华顿股份有限公司 2019-05-10 CN disclosed