SCHEMBL11206994

SCHEMBL11206994

CCC1CCC2C[C@H](C(=O)Oc3ccc(C#N)cc3)CC[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ MGLL Q99685 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ UBE2N P61088 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL11206997 1.00 POLB (0.45) POLBMGLLRXFP1HTTKMT2A
SCHEMBL5686686 0.94 POLB (0.43) POLBMGLLRXFP1HTTKMT2A
SCHEMBL5686691 0.94 POLB (0.43) POLBMGLLRXFP1HTTKMT2A
SCHEMBL11208752 0.91 POLB (0.43) POLBMGLLRXFP1HTTKMT2A
SCHEMBL11211028 0.91 POLB (0.43) POLBMGLLRXFP1HTTKMT2A
SCHEMBL11404643 0.89 POLB (0.50) POLBMGLLRXFP1HTTKMT2A
SCHEMBL11211535 0.89 MGLL (0.46) POLBMGLLRXFP1HTTKMT2A
SCHEMBL11211533 0.89 MGLL (0.46) POLBMGLLRXFP1HTTKMT2A
SCHEMBL11073582 0.88 MGLL (0.46) POLBMGLLRXFP1HTTKMT2A
SCHEMBL11073584 0.88 MGLL (0.46) POLBMGLLRXFP1HTTKMT2A

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-4391731-A Hydrogenated naphthalenes HOFFMANN-LA ROCHE INC. (US) 1983-07-05 — — US disclosed
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