SCHEMBL6469999

SCHEMBL6469999

C=CCN(CC=C)C(C)c1ccccc1C=C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP2C9 P11712 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL1673075 0.84 ALDH1A1 (0.35) ALDH1A1ADRA2AADRA2BCYP2C9CYP1A2
SCHEMBL2961496 0.81 KCNA5 (0.36) ALDH1A1CYP2D6TSHR
SCHEMBL11304684 0.79 TSHR (0.47) ALDH1A1ADRA2AADRA2BADRA2CCYP2C9
SCHEMBL28369098 0.79 HTT (0.36) ALDH1A1ADRA2AADRA2BADRA2CCYP2C9
SCHEMBL3449204 0.79 TDP1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL187728 0.78 MAPT (0.49) ALDH1A1CYP2C9TSHRMEN1MAPT
SCHEMBL18328017 0.77 ALDH1A1 (0.42) ALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL9779045 0.76 KCNH2 (0.35)
SCHEMBL2953628 0.76 KCNH2 (0.35)
SCHEMBL9779370 0.76 KCNH2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174187-B1 BIPOLAR MEMBRANE TOKUYAMA CORP (JP) 2005-11-23 EP disclosed
US-6596137-B2 Bipolar membrane TOKOYAMA CORPORATION (JP) 2003-07-22 US disclosed
US-20030006138-A1 Bipolar membrane TOKUYAMA CORPORATION (JP) 2003-01-09 US disclosed
EP-1174187-A1 BIPOLAR MEMBRANE TOKUYAMA CORPORATION (JP) 2002-01-23 EP disclosed
EP-0459820-B1 Bipolar membrane and method for its production TOKUYAMA CORP (JP) 1997-07-30 EP disclosed
US-5221455-A A heavy metal-neutralized anionic polymer bonded to a cationic polymer; electrolysis of water; nonbubbling or -foaming at the interface TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1993-06-22 US disclosed
EP-0459820-A2 Bipolar membrane and method for its production TOKUYAMA CORPORATION (JP) 1991-12-04 EP disclosed