SCHEMBL8042671

SCHEMBL8042671

C1CCC(CNCC2CCNCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
EPHX1 P07099 6/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL21987001 0.90 GNAI3 (0.55) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL5645562 0.87 GNAI3 (0.53) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL1679033 0.84 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1679102 0.84 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1678544 0.84 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1678148 0.82 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1678338 0.82 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1679343 0.82 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1679662 0.82 ADH1B (0.55) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25047164 0.79 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7

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
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed