SCHEMBL9376359

SCHEMBL9376359

COc1ccc(C=O)cc1OC1CC2C3CCC(C3)C2C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 1/20 0.55
PDE4B Q07343 8/20 0.46
FDPS P14324 1/20 0.46
AOX1 Q06278 1/20 0.44
TRIM24 O15164 1/20 0.44
HPGD P15428 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
TTR P02766 1/20 0.43
ALDH1A3 P47895 1/20 0.42
PDE3A Q14432 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL22713946 0.84 ALDH1A1 (0.68) ALDH1A1TSHRPDE4BFDPSAOX1
SCHEMBL6883557 0.83 ALDH1A1 (0.66) ALDH1A1TSHRPDE4BFDPSPDE3A
SCHEMBL29808190 0.81 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE3A
SCHEMBL7560477 0.81 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE3A
SCHEMBL70835 0.81 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BPDE3A
SCHEMBL4637156 0.80 ALDH1A1 (0.62) ALDH1A1TSHRPDE4BPDE3A
SCHEMBL7337264 0.80 ALDH1A1 (0.57) ALDH1A1TSHRPDE4BFDPSAOX1
SCHEMBL7344412 0.80 ALDH1A1 (0.57) ALDH1A1TSHRPDE4BFDPSAOX1
SCHEMBL70252 0.79 ALDH1A1 (0.64) ALDH1A1TSHRPDE4BFDPSAOX1
SCHEMBL4637716 0.78 ALDH1A1 (0.55) ALDH1A1TSHRPDE4BFDPSAOX1

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-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed