SCHEMBL11050985

SCHEMBL11050985

CCC(C(=O)O)C(C)C(CC)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 4/20 0.42
HSD17B10 Q99714 2/20 0.42
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
APAF1 O14727 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 2/20 0.40
PTGS1 P23219 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
PTGS2 P35354 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1083717 0.87 HKDC1 (0.50) HKDC1MEN1KMT2ALMNAHSD17B10
SCHEMBL13763093 0.81 HKDC1 (0.45) HKDC1MEN1KMT2ALMNAHSD17B10
SCHEMBL11042480 0.80 LMNA (0.44) HKDC1MEN1KMT2ALMNAHSD17B10
SCHEMBL19555165 0.79 HKDC1 (0.50) HKDC1MEN1KMT2ALMNAHSD17B10
SCHEMBL585397 0.79 MME (0.56) MEN1KMT2ALMNAMMEACE
SCHEMBL20291832 0.79 MME (0.56) MEN1KMT2ALMNAMMEACE
SCHEMBL7668203 0.79 HKDC1 (0.46) HKDC1MEN1KMT2ALMNAHSD17B10
SCHEMBL11049290 0.78 HKDC1 (0.42) HKDC1MEN1KMT2ALMNAHSD17B10
Methane SCHEMBL28588551 0.78 MME (0.55) MEN1KMT2ALMNAMMEACE
SCHEMBL1131423 0.77 POLB (0.49) HKDC1MEN1KMT2AMMEMAPT

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-4464290-A REMOVAL OF CONIFERYL BENZOATE AND ACETATE SHISEIDO COMPANY LTD. (JP) 1984-08-07 US disclosed