SCHEMBL11200701

SCHEMBL11200701

C=CCNCCC=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
PRMT1 Q99873 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
IDO1 P14902 2/20 0.39
PAM P19021 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL3884868 0.83 RAB9A (0.47) PRMT1MAOBKDM4EIDO1PAM
SCHEMBL3884865 0.83 RAB9A (0.47) PRMT1MAOBKDM4EIDO1PAM
(Z)-1,2-Diphenylethene SCHEMBL11896257 0.81 ALDH1A1 (0.44) ADRB2ADRB1MAOBKDM4EHDAC1
SCHEMBL1829793 0.78 SIGMAR1 (0.46) SIGMAR1KDM4EIDO1PAMHDAC3
SCHEMBL1829792 0.78 SIGMAR1 (0.46) SIGMAR1KDM4EIDO1PAMHDAC3
SCHEMBL3256288 0.77 SIGMAR1 (0.47) SIGMAR1MAOBIDO1PAMMEN1
SCHEMBL9530439 0.77 SIGMAR1 (0.47) SIGMAR1MAOBIDO1PAMMEN1
SCHEMBL11597360 0.77 PRMT1 (0.55) PRMT1MAOBKDM4EIDO1PAM
SCHEMBL11597357 0.77 PRMT1 (0.55) PRMT1MAOBKDM4EIDO1PAM
SCHEMBL11033890 0.76 MEN1 (0.57) SIGMAR1HDAC3HDAC4HDAC1HDAC7

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-4376687-A ELECTRODEPOSITION OF CATIONIC POLYMERS BASED ON AN AMINE-CONTAINING UNSATURATED CARBO COMPOUND, AN ACRYLIC ACID OR ESTER, AN AMINE-CONTAINING HYDROXY COMPOUND, A BLOCKED ISOLYANATE, AND ACID; AUTO COATINGS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1983-03-15 US disclosed