SCHEMBL9076806

SCHEMBL9076806

Cc1ccc(C(=O)c2oc3cc(NC(=O)C(=O)OC(C)C)ccc3c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.40
▸ MAPT P10636 5/20 0.40

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
SCHEMBL9075646 0.86 SMN1; SMN2 (0.45) MAOBRAB9AKDM4ETUBB4ATUBB
SCHEMBL8305401 0.82 CA12 (0.53) MAOBRAB9AKDM4ETUBB4ATUBB
SCHEMBL8841210 0.78 MAPT (0.51) RAB9AKDM4ETHRBTUBB4ATUBB
SCHEMBL9074252 0.75 MAOB (0.50) MAOBRAB9ATUBB4ATUBBTUBA3C
SCHEMBL8841216 0.73 HIF1A (0.44) RAB9AKDM4ETUBB4ATUBBTUBA3C
SCHEMBL31384139 0.69 RAB9A (0.61) MAOBRAB9AKDM4ETUBB4ATUBB
SCHEMBL30608268 0.68 NPC1 (0.73) RAB9AKDM4ETHRBMAPTPOLB
SCHEMBL11237808 0.68 MAOB (0.62) MAOBRAB9AKDM4EPOLBHPGD
SCHEMBL28402351 0.67 ADRB2 (0.50) KDM4EKMT2AMEN1TDP1
SCHEMBL9074052 0.67 HIF1A (0.47) RAB9AKDM4EMAPTHPGDALDH1A1

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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