SCHEMBL2596074

SCHEMBL2596074

[CH](c1cccc2ccccc12)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
CHAT P28329 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL27587319 0.77 RXRA (0.44) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4814070 0.75 CHAT (0.44) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3247717 0.75 RXRA (0.43) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18243277 0.75 CYP2A6 (0.43) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27671615 0.72 MTNR1A (0.45) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18242061 0.72 RXRA (0.41) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18242247 0.72 RXRA (0.41) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL947159 0.72 GRIN2D (0.50) RXRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10706687 0.71 CHAT (0.62) RXRACHATHSD17B10TSHRHDAC8
SCHEMBL816177 0.71 TSHR (0.50) RXRAGRIN2DGRIN3BGRIN1GRIN2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006422-B2 Oxidation process for preparing 3-formyl-cephem derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2015-04-14 US claimed
EP-2569321-B1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES BASILEA PHARMACEUTICA INTERNAT LTD (CH) 2015-03-04 EP claimed
EP-2569321-A1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES Basilea Pharmaceutica International Ltd. (CH) 2013-03-20 EP claimed
WO-2011141415-A1 OXIDATION PROCESS FOR PREPARING 3-FORMYL-CEPHEM DERIVATIVES BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2011-11-17 WO claimed