SCHEMBL3262174

SCHEMBL3262174

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C3 P42330 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
AKR1C1 Q04828 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL9009925 0.86 KDM1A (0.39) MTNR1AMTNR1BALDH1A1TSHRKDM1A
SCHEMBL14958 0.82 MAOA (0.52) ALDH1A1MAOAMAOBATMMAPT
Styrene SCHEMBL3717971 0.81 ALDH1A1 (0.54) ALDH1A1TSHRMAOAMAOBATM
SCHEMBL28274188 0.81 ALDH1A1 (0.45) MTNR1AMTNR1BALDH1A1TSHRAKR1C3
SCHEMBL3680344 0.79 MAOA (0.45) ALDH1A1MAOAMAOBATMMAPT
SCHEMBL633828 0.79 MAOB (0.39) ALDH1A1MAOAMAOBRECQLMEN1
SCHEMBL60657 0.78 ALDH1A1 (0.58) MTNR1AMTNR1BALDH1A1TSHRAKR1C3
SCHEMBL8388186 0.78 MAOA (0.41) KDM1AMAOAMAOBATM
SCHEMBL8388184 0.78 MAOA (0.41) KDM1AMAOAMAOBATM
SCHEMBL11801120 0.76 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1TSHRAKR1C3

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-20100010141-A1 THERMOPLASTIC RESIN COMPOSITION AND RESIN MOLDED ARTICLE MATSUMURA SANGYO CO., LTD. (JP) 2010-01-14 US disclosed