SCHEMBL31589640

SCHEMBL31589640

C(=C\c1c2ccccc2cc2ccccc12)\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.52
NFE2L2 Q16236 3/20 0.47
KDM4E B2RXH2 5/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAOB P27338 3/20 0.42
CYP19A1 P11511 2/20 0.42
MAOA P21397 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL129342 1.00 RELA (0.52) RELANFE2L2KDM4EMAPTRAB9A
SCHEMBL129341 1.00 RELA (0.52) RELANFE2L2KDM4EMAPTRAB9A
Dimethylamine SCHEMBL8182093 0.92 RELA (0.46) RELANFE2L2KDM4EMAPTRAB9A
Dimethylamine SCHEMBL11173429 0.92 RELA (0.46) RELANFE2L2KDM4EMAPTRAB9A
SCHEMBL8909959 0.89 CYP2D6 (0.49) KDM4EMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL8909951 0.89 CYP2D6 (0.49) KDM4EMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL554449 0.88 RELA (0.44) RELAMAPTL3MBTL1ALDH1A1HTT
SCHEMBL6834869 0.88 MAOB (0.56) RELAKDM4EMAPTRAB9APOLB
SCHEMBL6834868 0.88 MAOB (0.56) RELAKDM4EMAPTRAB9APOLB
SCHEMBL554639 0.88 RELA (0.44) RELAMAPTL3MBTL1ALDH1A1HTT

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
CN-120040661-A Ultra-high temperature retarder for well cementation cement and preparation method thereof 古莱特科技股份有限公司 2025-05-27 CN claimed
CN-120040661-A Ultra-high temperature retarder for well cementation cement and preparation method thereof 古莱特科技股份有限公司 2025-05-27 CN disclosed