SCHEMBL6003432

SCHEMBL6003432

CCCCc1c[nH]c(CO)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.36
NOS2 P35228 1/20 0.36
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
GPR84 Q9NQS5 5/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PDPK1 O15530 1/20 0.32
HRH2 P25021 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL278227 0.95 KCNH2 (0.43) KCNH2HCAR3HCAR2GPR84ALDH1A1
SCHEMBL3840247 0.86 HRH3 (0.42) HRH3KCNH2NOS2GPR84ESR1
SCHEMBL152356 0.85 HRH3 (0.39) HRH3GPR84ALDH1A1MAPK1PARP1
SCHEMBL3841860 0.85 HRH3 (0.41) HRH3KCNH2NOS2HCAR3HCAR2
SCHEMBL3842012 0.85 HRH3 (0.41) HRH3KCNH2NOS2HCAR3HCAR2
Hydrochloric Acid SCHEMBL28183399 0.85 HRH3 (0.41) HRH3KCNH2NOS2GPR84ESR1
SCHEMBL8435155 0.84 HRH3 (0.42) HRH3HCAR3HCAR2GPR84ALDH1A1
Hydrochloric Acid SCHEMBL9594946 0.84 HRH3 (0.38) HRH3GPR84ALDH1A1MAPK1PARP1
Acetic Acid SCHEMBL27806863 0.82 PARP1 (0.39) HRH3KCNH2NOS2HCAR3HCAR2
SCHEMBL3639038 0.81 NOS2 (0.40) HRH3KCNH2NOS2ESR1ESR2

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-20180055142-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS HONEYWELL INTERNATIONAL INC. 2018-03-01 US disclosed
EP-3268420-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS Honeywell International Inc. (US) 2018-01-17 EP disclosed
WO-2016149223-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS HONEYWELL INTERNATIONAL INC. (US) 2016-09-22 WO disclosed
US-20160262490-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS HONEYWELL INTERNATIONAL INC. 2016-09-15 US disclosed
US-20060199917-A1 thermoplastic elastomer exhibiting high recyclability and oil resistance as well as excellent mechanical strength, and in particular, excellent resistance to compression set is provided. The thermoplastic resin with epoxy, hydroxy or nitrogen groups in backbone YOKOHAMA RUBBER CO., LTD., THE (JP) 2006-09-07 US disclosed