SCHEMBL8841216

SCHEMBL8841216

CCOC(=O)CNc1ccc2c(C)c(C(=O)c3ccc(C)cc3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ 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
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 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
SCHEMBL9075646 0.83 SMN1; SMN2 (0.45) HIF1AALDH1A1HPGDRAB9AKDM4E
SCHEMBL8305401 0.78 CA12 (0.53) ALDH1A1HPGDRAB9AKDM4EHSD17B10
SCHEMBL8841210 0.77 MAPT (0.51) ALDH1A1HPGDRAB9AKDM4ESMN1; SMN2
SCHEMBL8609989 0.76 ALDH1A1 (0.71) ALDH1A1HPGDRAB9AKDM4EHSD17B10
SCHEMBL20323086 0.76 RAB9A (0.54) ALDH1A1HPGDRAB9AKDM4EHSD17B10
SCHEMBL4035087 0.74 POLB (0.65) ALDH1A1RAB9AKDM4EHSD17B10SMN1; SMN2
Water SCHEMBL9248793 0.72 POLB (0.63) ALDH1A1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL8544477 0.70 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL20893358 0.69 L3MBTL1 (0.61) HIF1AALDH1A1HPGDRAB9AKDM4E
SCHEMBL31384139 0.69 RAB9A (0.61) ALDH1A1HPGDRAB9AKDM4ESMN1; SMN2

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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