SCHEMBL3753725

SCHEMBL3753725

S=CC1C=Cc2cccc3cccc1c23

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP1B1 Q16678 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL28960018 0.85 ALDH1A1 (0.32) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL27730862 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL27515066 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL7770902 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL547797 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL3267056 0.82 ALDH1A1 (0.30) ALDH1A1CYP1A1CYP1A2CYP3A4HPGD
SCHEMBL27973655 0.81
SCHEMBL28805395 0.78
SCHEMBL27496799 0.78
SCHEMBL27743010 0.77

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-1501881-B1 POLYMERS PRODUCED BY ATOM TRANSFER RADICAL POLYMERISATION TECHNIQUE WITH STRUCTURALLY MODIFIED TERMINAL GROUPS BASF SE (DE) 2010-03-31 EP claimed