SCHEMBL8437441

SCHEMBL8437441

C=CC(=O)OC1CCCCC1.C=CC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SGMS2 Q8NHU3 1/20 0.44
EPHX1 P07099 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
THRB P10828 1/20 0.41
TGM2 P21980 1/20 0.40
FABP7 O15540 1/20 0.40

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
SCHEMBL1489587 0.93 HCAR2 (0.50) HCAR2LMNAALDH1A1KMT2ACA12
SCHEMBL10705134 0.88 ALDH1A1 (0.41) HCAR2LMNAALDH1A1SGMS2EPHX1
SCHEMBL24690711 0.83 HCAR2 (0.43) HCAR2LMNAALDH1A1KMT2ACA12
Benzene SCHEMBL28307095 0.82 HCAR2 (0.65) HCAR2LMNAALDH1A1KMT2ACA12
SCHEMBL34054 0.82 HCAR2 (0.65) HCAR2LMNAALDH1A1KMT2ACA12
SCHEMBL28230354 0.82 HCAR2 (0.65) HCAR2LMNAALDH1A1KMT2ACA12
SCHEMBL27593936 0.82 SMN1; SMN2 (0.64) MEN1KMT2ATGM2
Methane SCHEMBL28851569 0.81 HCAR2 (0.62) HCAR2LMNAALDH1A1KMT2ACA12
Bicarbonate SCHEMBL3955752 0.81 HCAR2 (0.62) HCAR2LMNAALDH1A1KMT2ACA12
Bromide SCHEMBL28618019 0.81 HCAR2 (0.62) HCAR2LMNAALDH1A1KMT2ACA12

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-5935508-A IMPREGNATING CONTINUOUS FIBERS WITH RESIN MIXTURE COMPRISING RADIATION POLYMERIZABLE COMPONENT; EXPOSING TO RADIATION TO EFFECT POLYMERIZATION; CUTTING THE PRODUCT TO FORM THERMOPLASTICALLY PROCESSIBLE INTERMEDIATES KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 1999-08-10 US disclosed