SCHEMBL9318641

SCHEMBL9318641

CC(=O)CCCCCOCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1009199 0.87 FFAR1 (0.53) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL28097226 0.81 CNR1 (0.46) ADRB2ADRB1ADRB3HDAC1HDAC8
SCHEMBL28262225 0.81 CNR1 (0.46) ADRB2ADRB1ADRB3HDAC1HDAC8
SCHEMBL1007564 0.81 CNR2 (0.47) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL28809537 0.81 CNR1 (0.46) ADRB2ADRB1ADRB3HDAC1HDAC8
SCHEMBL9318967 0.78 PARP10 (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL7622732 0.78 ADRB2 (0.41) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL14199087 0.77 CYP1A2 (0.44) MEN1KMT2ATDP1PARP10
SCHEMBL7622456 0.76 CYP1A2 (0.42) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL18641735 0.76 EPHX2 (0.54) TDP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283262-A Antiinflammatory, antiallergens GLAXO GROUP LIMITED (GB) 1994-02-01 US disclosed
US-5109023-A For treating asthma, chronic bronchits, gastrointestinal disorders, anticoagulant, antiinflammatory agent and antiallergens GLAXO GROUP LIMITED (GB) 1992-04-28 US disclosed
US-5099068-A Antiulcer agents, beta-adrenoreceptors or bronchodilator agents for treatment of asthma GLAXO GROUP LIMITED (GB) 1992-03-24 US disclosed
US-4997986-A Respiratory system disorders GLAXO GROUP LIMITED (GB) 1991-03-05 US disclosed
EP-0317206-A2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 1989-05-24 EP disclosed