SCHEMBL28068774

SCHEMBL28068774

O=C(C=CC1(CO)C=CC=CC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
RECQL P46063 2/20 0.38
PLIN1 O60240 2/20 0.38
PLIN5 Q00G26 2/20 0.38
ABHD5 Q8WTS1 2/20 0.38
MAOB P27338 2/20 0.38
BCHE P06276 1/20 0.38
TNFRSF1A P19438 1/20 0.38
ACHE P22303 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
CYP3A4 P08684 3/20 0.37
AKT1 P31749 2/20 0.37
GPR52 Q9Y2T5 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL28392614 0.83 AKT1 (0.36) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL5704757 0.81
SCHEMBL5704755 0.81
SCHEMBL3423749 0.78 MAPT (0.41) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL11364536 0.78 SMN1; SMN2 (0.46) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL4896000 0.77 MAPT (0.44) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL6470886 0.77 MAPT (0.40) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL6259567 0.77 RECQL (0.41) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL6259565 0.77 RECQL (0.41) MAPTLMNARECQLPLIN1PLIN5
SCHEMBL3697930 0.77 ALDH1A1 (0.42) MAPTLMNARECQLPLIN1PLIN5

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-103833540-B A kind of beta substitution cinnamophenone analogue and its preparation method and the application in preparation NSC 630176 中山大学 2016-06-08 CN disclosed