SCHEMBL11548296

SCHEMBL11548296

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PRMT1 Q99873 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
MAOB P27338 2/20 0.42
RECQL P46063 2/20 0.42
ESR1 P03372 1/20 0.42
PLIN1 O60240 1/20 0.42
BCHE P06276 1/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 1/20 0.42
PLIN5 Q00G26 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B2 P19099 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 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
SCHEMBL11548327 0.92 MAOB (0.54) AKR1C1ALDH1A1MAPTLMNAMAOB
SCHEMBL9421062 0.88 ALDH1A1 (0.47) AKR1C1ALDH1A1TSHRPRMT1MAPT
SCHEMBL9421113 0.88 ALDH1A1 (0.47) AKR1C1ALDH1A1TSHRPRMT1MAPT
SCHEMBL8177926 0.88 AKR1C1 (0.41) AKR1C1ALDH1A1TSHRPRMT1MAPT
SCHEMBL9421055 0.88 ALDH1A1 (0.47) AKR1C1ALDH1A1TSHRPRMT1MAPT
SCHEMBL9403199 0.86 ESR1 (0.44) AKR1C1ALDH1A1TSHRPRMT1MAPT
SCHEMBL51801 0.84 CYP1B1 (0.55) AKR1C1ALDH1A1MAPTLMNAMAOB
SCHEMBL6420549 0.83 ALDH1A1 (0.45) AKR1C1ALDH1A1TSHRPRMT1MAPT
SCHEMBL4613759 0.83 ALDH1A1 (0.45) AKR1C1ALDH1A1TSHRPRMT1MAPT
SCHEMBL4817483 0.83 HDAC3 (0.54) AKR1C1ALDH1A1TSHRPRMT1MAPT

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