SCHEMBL6692316

SCHEMBL6692316

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
ALDH1A1 P00352 7/20 0.38
RECQL P46063 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
PLIN1 O60240 3/20 0.38
PLIN5 Q00G26 3/20 0.38
ABHD5 Q8WTS1 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.38
F3 P13726 1/20 0.38
PTAFR P25105 1/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 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
SCHEMBL6692313 1.00 AKT1 (0.42) AKT1ALDH1A1RECQLMAPTLMNA
SCHEMBL1373858 0.86 PTAFR (0.41) AKT1ALDH1A1RECQLMAPTLMNA
SCHEMBL1373861 0.86 PTAFR (0.41) AKT1ALDH1A1RECQLMAPTLMNA
SCHEMBL133924 0.81 AKT1 (0.41) AKT1ALDH1A1RECQLMAPTCYP1A2
SCHEMBL133925 0.81 AKT1 (0.41) AKT1ALDH1A1RECQLMAPTCYP1A2
SCHEMBL1931541 0.79 AKT1 (0.40) AKT1ALDH1A1RECQLMAPTCYP1A2
SCHEMBL1232561 0.79 HDAC3 (0.45) AKT1ALDH1A1RECQLMAPTLMNA
SCHEMBL1931543 0.79 AKT1 (0.40) AKT1ALDH1A1RECQLMAPTCYP1A2
SCHEMBL10399188 0.79 HDAC3 (0.45) AKT1ALDH1A1RECQLMAPTLMNA
SCHEMBL3943435 0.79 HDAC3 (0.45) AKT1ALDH1A1RECQLMAPTLMNA

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-2004087430-A1 AUTHENTICATION MEANS UCB, S.A. (BE) 2004-10-14 WO disclosed