SCHEMBL8841210

SCHEMBL8841210

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ THRB P10828 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44
▸ TUBA3C P0DPH7 1/20 0.44
▸ TUBA1B P68363 1/20 0.44
▸ TUBA4A P68366 1/20 0.44
▸ TUBB4B P68371 1/20 0.44
▸ TUBB3 Q13509 1/20 0.44
▸ TUBB2A Q13885 1/20 0.44
▸ TUBB8 Q3ZCM7 1/20 0.44
▸ TUBA3E Q6PEY2 1/20 0.44
▸ TUBA1A Q71U36 1/20 0.44
▸ TUBA1C Q9BQE3 1/20 0.44
▸ TUBB6 Q9BUF5 1/20 0.44

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
SCHEMBL8305401 0.83 CA12 (0.53) MAPTSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL9075646 0.81 SMN1; SMN2 (0.45) MAPTSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL9076806 0.78 MAOB (0.42) MAPTSMN1; SMN2THRBALDH1A1HPGD
SCHEMBL8841216 0.77 HIF1A (0.44) MAPTSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL8841213 0.76 KDM4E (0.41) MAPTSMN1; SMN2THRBALDH1A1HPGD
SCHEMBL764569 0.73 HPGD (0.71) MAPTSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL9074252 0.72 MAOB (0.50) SMN1; SMN2ALDH1A1RAB9AKMT2ATUBB4A
SCHEMBL31384139 0.70 RAB9A (0.61) MAPTSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL30608268 0.70 NPC1 (0.73) MAPTSMN1; SMN2THRBALDH1A1HPGD
SCHEMBL8550306 0.69 MAOB (0.62) ALDH1A1RAB9AKMT2ATUBB4ATUBB

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-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 — — US claimed
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