SCHEMBL9230426

SCHEMBL9230426

CC1=CCC([Hf](=C(C)C)=C(C)C)=C1C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
POLB P06746 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL9231399 0.75 GPR3 (0.33) EPHX2POLB
SCHEMBL7903698 0.73 POLB (0.35) EPHX2POLB
Hydrochloric Acid SCHEMBL9069256 0.72 EPHX2 (0.32) EPHX2POLB
Hydrochloric Acid SCHEMBL7941237 0.72 EPHX2 (0.32) EPHX2POLB
Hydrochloric Acid SCHEMBL7901735 0.72 EPHX2 (0.32) EPHX2POLB
Hydrochloric Acid SCHEMBL7901730 0.72 EPHX2 (0.32) EPHX2POLB
SCHEMBL7903658 0.62 SLC6A2 (0.33) EPHX2POLBSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9069667 0.60 POLB (0.36) POLB
Hydrochloric Acid SCHEMBL7902589 0.60 HTR2A (0.33) POLB
SCHEMBL10436063 0.59 SLC6A2 (0.40) POLBSLC6A2SLC6A4SLC6A3

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
EP-0399347-B1 Process for preparing a Syndio-isoblockpolymer HOECHST AG (DE) 1996-08-14 EP claimed