SCHEMBL27520571

SCHEMBL27520571

CC(C)CCC1=C[CH]c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
CYP1A2 P05177 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL20515357 0.77 PTPN1 (0.31) LMNA
SCHEMBL3920385 0.76 PTPN1 (0.40)
SCHEMBL5400932 0.74 TP53 (0.33) LMNA
SCHEMBL20996630 0.67 TAAR1 (0.37)
SCHEMBL20996214 0.67 ALDH1A1 (0.38) LMNA
SCHEMBL28883594 0.67 PTPN1 (0.31)
SCHEMBL967781 0.67 CALM1 (0.44) CYP1A2CYP2C9LMNA
SCHEMBL6399287 0.66 CDC25B (0.47) CDC25ACDC25B
SCHEMBL20996240 0.66 SMN1; SMN2 (0.33) CDC25ACDC25B
SCHEMBL1137991 0.66 CYP1A2 (0.55) DHODHCYP1A2CYP2C8CYP2C9CYP2B6

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-1272852-A Process for preparing ethylene and alpha-olefin copolymer MONTELL TECHNOLOGY COMPANY BV (NL) 2000-11-08 CN disclosed