SCHEMBL11467866

SCHEMBL11467866

COc1ccc(CC(=O)N2CCc3ccc(OC)cc3CC2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PARP1 P09874 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ ABCC1 P33527 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ KCNA5 P22460 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.45

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
SCHEMBL11459473 0.92 KMT2A (0.48) SMN1; SMN2MAPTRAB9APARP1POLB
SCHEMBL11455786 0.83 KMT2A (0.50) SMN1; SMN2MAPTRAB9APARP1KMT2A
SCHEMBL30468516 0.75 ESR2 (0.47) ALDH1A1KDM4EHDAC1HDAC6LMNA
SCHEMBL10660245 0.74 KMT2A (0.55) SMN1; SMN2MAPTPARP1POLBKMT2A
SCHEMBL11455526 0.74 KMT2A (0.66) SMN1; SMN2MAPTRAB9AKMT2AABCB1
Hydrochloric Acid SCHEMBL11457319 0.72 DRD2 (0.54) —
SCHEMBL11456231 0.72 DRD2 (0.48) —
SCHEMBL26126968 0.71 ALDH1A1 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1HPGD
SCHEMBL26122057 0.71 ALDH1A1 (0.54) SMN1; SMN2MAPTRAB9AALDH1A1HPGD
SCHEMBL11947276 0.71 ABCB1 (0.69) SMN1; SMN2MAPTRAB9AKMT2AABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4233217-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS, AND ANTIHISTAMINES PENNWALT CORPORATION (US) 1980-11-11 — — US disclosed
US-4210749-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS PENNWALT CORPORATION (US) 1980-07-01 — — US disclosed
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