SCHEMBL7557945

SCHEMBL7557945

CCCCC[C@H]1CC[C@H](C=CC2CCC(C3CCC(C=C[C@H]4CC[C@H](CCC)CC4)CC3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX1 P07099 1/20 0.33
TP53 P04637 1/20 0.33
TLR4 O00206 2/20 0.33
LSS P48449 2/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
CCR2 P41597 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
SCHEMBL7556351 1.00 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL7557941 1.00 CYP1A2 (0.41) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL7558260 0.89 CYP1A2 (0.52) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL7558256 0.89 CYP1A2 (0.52) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL7558254 0.89 CYP1A2 (0.52) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL7558262 0.89 CYP1A2 (0.52) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9416793 0.88 CYP1A2 (0.50) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL8216788 0.88 CYP1A2 (0.50) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL4653185 0.88 CYP1A2 (0.50) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL10614043 0.88 CYP1A2 (0.50) CYP1A2PKMHTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885861-B1 LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP SADAO NOGI (JP) 2002-07-31 EP disclosed
EP-0885861-A1 LIQUID-CRYSTAL COMPOUNDS BEARING VINYL LINKAGES AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (SADAO NOGI) (JP) 1998-12-23 EP disclosed