SCHEMBL11548327

SCHEMBL11548327

C(C=Cc1ccccc1)=CC(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.54
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
PLIN1 O60240 2/20 0.46
RECQL P46063 2/20 0.46
PLIN5 Q00G26 2/20 0.46
ABHD5 Q8WTS1 2/20 0.46
CYP1B1 Q16678 2/20 0.46
BCHE P06276 1/20 0.46

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
SCHEMBL11548296 0.92 AKR1C1 (0.47) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL51801 0.86 CYP1B1 (0.55) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9421062 0.81 ALDH1A1 (0.47) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8177926 0.81 AKR1C1 (0.41) MAOBMAPTLMNAPLIN1RECQL
SCHEMBL9421055 0.81 ALDH1A1 (0.47) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9421113 0.81 ALDH1A1 (0.47) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL9403199 0.79 ESR1 (0.44) MAOBMAPTLMNAPLIN1RECQL
SCHEMBL6420549 0.76 ALDH1A1 (0.45) MAOBMAPTLMNAPLIN1RECQL
SCHEMBL4613759 0.76 ALDH1A1 (0.45) MAOBMAPTLMNAPLIN1RECQL
SCHEMBL5245151 0.76 MAOB (0.58) MAOBHDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4158099-A FROM SCHIFF BASES AND BIPHENYL COMPOUND CIBA-GEIGY AG (CH) 1979-06-12 US disclosed
US-3991049-A Aromatic compounds containing ethylene double bonds, processes for their manufacture and use CIBA-GEIGY AG (CH) 1976-11-09 US disclosed