SCHEMBL10948798

SCHEMBL10948798

Cc1ccc(NC(=O)CC(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ POLB P06746 3/20 0.63
▸ LMNA P02545 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ MEN1 O00255 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ BRD4 O60885 1/20 0.55
▸ FNTA P49354 2/20 0.55

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
SCHEMBL10954657 0.93 SMN1; SMN2 (0.66) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10953466 0.92 FNTA (0.65) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10950719 0.92 CA12 (0.58) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10952111 0.92 FNTA (0.65) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10952227 0.92 LMNA (0.72) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10953663 0.91 CA12 (0.57) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10948604 0.89 LMNA (0.78) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10949698 0.88 TACR1 (0.59) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10955018 0.88 RORC (0.55) SMN1; SMN2POLBLMNAGAAMEN1
SCHEMBL10953657 0.88 SMN1; SMN2 (0.53) SMN1; SMN2POLBLMNAGAAMEN1

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-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 — — US claimed
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