SCHEMBL9075646

SCHEMBL9075646

CCOC(=O)C(=O)Nc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ CYP19A1 P11511 4/20 0.43
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41

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
SCHEMBL9076806 0.86 MAOB (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL8305401 0.83 CA12 (0.53) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL8841216 0.83 HIF1A (0.44) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL8841210 0.81 MAPT (0.51) SMN1; SMN2ALDH1A1HPGDKDM4ERAB9A
SCHEMBL9074052 0.81 HIF1A (0.47) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL8326230 0.77 CYP19A1 (0.44) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL9074252 0.76 MAOB (0.50) SMN1; SMN2ALDH1A1NPC1RAB9AGAA
SCHEMBL11224072 0.75 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL10557875 0.74 MAPT (0.75) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL9076541 0.70 MAPT (0.44) SMN1; SMN2NPC1RAB9AMAPTHIF1A

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-5565488-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 — — US claimed
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