SCHEMBL11404643

SCHEMBL11404643

CCC1CCC(C2CCC(C(=O)Oc3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL7941975 0.92 POLB (0.50) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL91806 0.92 POLB (0.50) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL10614001 0.90 F2 (0.52) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL2829973 0.90 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL8056318 0.90 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL8058949 0.90 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11206994 0.89 POLB (0.45) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11206997 0.89 POLB (0.45) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11059417 0.89 POLB (0.49) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11059422 0.89 POLB (0.49) POLBHTTKMT2ASMN1; SMN2TDP1

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 — — US disclosed
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