SCHEMBL27820675

SCHEMBL27820675

CCOC(=O)c1coc(-c2ccc(Cl)c(CN)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 8/20 0.42
▸ GABRB2 P47870 8/20 0.42
▸ TARBP2 Q15633 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TEAD2 Q15562 1/20 0.38

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
SCHEMBL1931403 0.86 ACR (0.45) GABRA2GABRB2TARBP2ACRPDE4B
SCHEMBL19556552 0.84 GABRA2 (0.43) GABRA2GABRB2TARBP2ACRPDE4B
SCHEMBL30111991 0.84 GABRA2 (0.43) GABRA2GABRB2TARBP2ACRPDE4B
SCHEMBL20361433 0.80 TARBP2 (0.60) GABRA2GABRB2TARBP2PDE4BCYP1A2
SCHEMBL24339961 0.78 ELANE (0.53) GABRA2GABRB2TARBP2CYP1A2SCN10A
SCHEMBL26315180 0.78 HDAC1 (0.61) GABRA2GABRB2TARBP2PDE4BCYP1A2
SCHEMBL17055675 0.77 HSD17B10 (0.57) CYP1A2NPC1MAPTTSHRRAB9A
SCHEMBL3070077 0.76 PDE4B (0.53) TARBP2PDE4BCYP1A2HDAC1HDAC8
SCHEMBL4280780 0.76 S1PR1 (0.50) NPC1MAPTRAB9ASMN1; SMN2HSD17B10
SCHEMBL22347414 0.76 SMN1; SMN2 (0.57) PDE4BCYP1A2HDAC1HDAC8HDAC6

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
CN-101939317-A Substituted aryl oxazoles and their use BAYER HEALTHCARE AG 2011-01-05 — — CN disclosed
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