SCHEMBL25936284

SCHEMBL25936284

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR5 P51681 1/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
POLB P06746 2/20 0.34
MME P08473 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL26549945 1.00 APAF1 (0.41) APAF1MEN1KMT2ACYP2C19LMNA
SCHEMBL6061571 0.81 APAF1 (0.50) APAF1MEN1KMT2ALMNAHSD17B10
SCHEMBL25667196 0.78 AKR1B1 (0.37) CYP2C19LMNAHSD17B10CYP2D6
SCHEMBL9380747 0.75 HCAR2 (0.42) MEN1KMT2ACYP2C19LMNAHSD17B10
SCHEMBL12191565 0.75 APAF1 (0.50) APAF1MEN1KMT2ALMNAHSD17B10
SCHEMBL10640638 0.74 LMNA (0.42) MEN1KMT2ALMNACCR5POLB
SCHEMBL10640640 0.74 LMNA (0.42) MEN1KMT2ALMNACCR5POLB
SCHEMBL5407249 0.74 GABRR1 (0.54)
SCHEMBL5407252 0.74 GABRR1 (0.54)
SCHEMBL25667219 0.73 RIPK1 (0.35) LMNA

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-11713410-B1 Polymer-based latex for cementing fluids SAUDI ARABIAN OIL COMPANY (SA) 2023-08-01 US disclosed