SCHEMBL5405655

SCHEMBL5405655

COc1ccc2c(c1)C(C)(C)CC2=C(C#N)C(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
PDK2 Q15119 1/20 0.34
CYP1A2 P05177 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALK Q9UM73 1/20 0.33
OTUD7B Q6GQQ9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
METAP1 P53582 1/20 0.32
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL5397192 0.83 ALDH1A1 (0.36) CYP1A2SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL14543096 0.81 PDK2 (0.32) PDK2CNR2PGR
SCHEMBL5403688 0.81 EGFR (0.31)
SCHEMBL5403690 0.81 EGFR (0.31)
SCHEMBL5412149 0.81 EGFR (0.40) CYP3A4CYP2C9CYP1A2ALDH1A1TSHR
SCHEMBL5412146 0.81 EGFR (0.40) CYP3A4CYP2C9CYP1A2ALDH1A1TSHR
SCHEMBL5394950 0.78 TNFSF11 (0.42) SMN1; SMN2ALDH1A1TSHRPGR
SCHEMBL14607804 0.77 EGFR (0.31)
SCHEMBL5400111 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5400109 0.76 ALDH1A1 (0.31) ALDH1A1

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-7208142-B2 Indanylidene compounds SYMRISE GMBH & CO. KG (DE) 2007-04-24 US claimed