SCHEMBL9640412

SCHEMBL9640412

C=COC(=O)C(C=Cc1ccccc1)C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PLIN1 O60240 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
PLIN5 Q00G26 2/20 0.41
ABHD5 Q8WTS1 2/20 0.41
TNKS O95271 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL10429897 0.92 CYP1A2 (0.41) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL28745785 0.85 CYP3A4 (0.38) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL27551457 0.83 CYP1A2 (0.44) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL7915728 0.80 CYP1A2 (0.41) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL28154170 0.78 PAM (0.45) LMNAPAMMAOBAKR1B10AKR1B1
SCHEMBL1904233 0.77 CYP1A2 (0.55) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL4962444 0.75 CYP1A2 (0.37) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL10337684 0.75 CYP1A2 (0.57) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL312612 0.73 MAPT (0.55) CYP1A2LMNAALDH1A1HDAC3HDAC4
SCHEMBL4250754 0.73 CYP1A2 (0.50) CYP1A2LMNAALDH1A1HDAC3HDAC4

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-5164451-A Polyperoxides NIPPON OIL AND FATS CO., LTD. (JP) 1992-11-17 US disclosed