SCHEMBL27772008

SCHEMBL27772008

Fc1cc2c3c(ccc2c2ccccc12)CCCC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.47
▸ KIF11 P52732 2/20 0.46
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ BAD Q92934 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CES1 P23141 2/20 0.35
▸ NQO1 P15559 3/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ STAT3 P40763 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA3 P42263 1/20 0.33

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
1-Naphthol SCHEMBL27426941 0.86 HPRT1 (0.46) HPRT1KIF11L3MBTL1BCL2L1BAD
Betanaphthol SCHEMBL27451711 0.85 HPRT1 (0.45) HPRT1KIF11BCL2L1BADNQO1
Quinoline SCHEMBL28793169 0.84 ALDH1A1 (0.42) HPRT1KIF11TSHRHTR3EHTR3B
Isoquinoline SCHEMBL27659509 0.84 HPRT1 (0.41) HPRT1KIF11NQO1
SCHEMBL27721426 0.84 KIF11 (0.44) KIF11TSHRL3MBTL1BCL2L1BAD
SCHEMBL27288088 0.80 KIF11 (0.47) KIF11TSHRBCL2L1BADCDK4
SCHEMBL27528878 0.79 BCL2L1 (0.48) KIF11TSHRBCL2L1BADCDK4
SCHEMBL30662035 0.79 BCL2L1 (0.48) KIF11TSHRBCL2L1BADCDK4
SCHEMBL27466975 0.79 KIF11 (0.46) KIF11TSHRBCL2L1BADCDK4
SCHEMBL27430162 0.79 KIF11 (0.46) KIF11TSHRBCL2L1BADCDK4

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-101500996-A (3-amino-1,2,3,4-tetrahydro-9h-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-08-05 — — CN disclosed
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