SCHEMBL9797690

SCHEMBL9797690

C=Cc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
PARP3 Q9Y6F1 1/20 0.55
ALDH1A1 P00352 8/20 0.52
CYP2A6 P11509 2/20 0.52
KDM4E B2RXH2 4/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A3 P47895 1/20 0.47
STS P08842 1/20 0.45
DRD1 P21728 1/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 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
SCHEMBL5050902 0.88 PARP10 (0.65) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL1663469 0.88 PARP10 (0.65) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL296908 0.88 ALDH1A1 (0.65) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL92255 0.85 ALDH1A1 (0.69) ALDH1A1CYP2A6KDM4EALDH1A3HSD17B10
Ethylene SCHEMBL29144706 0.83 ALDH1A1 (0.65) ALDH1A1CYP2A6KDM4EALDH1A3HSD17B10
SCHEMBL17445756 0.81 ALDH1A1 (0.55) PARP10PARP3ALDH1A1LMNASMN1; SMN2
SCHEMBL20024709 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
Benzene SCHEMBL7538692 0.80 ALDH1A1 (0.61) ALDH1A1CYP2A6KDM4ELMNASMN1; SMN2
SCHEMBL16202966 0.79 ALDH1A1 (0.45) PARP10PARP3ALDH1A1CYP2A6KDM4E
SCHEMBL97639 0.79 ALDH1A1 (0.59) PARP10PARP3ALDH1A1CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981978-A Reaction products of imidazole on pyrazole derivatives and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1991-01-01 US disclosed
US-4927932-A Reaction products of pyrimidine, pyridazine and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1990-05-22 US disclosed
US-4831137-A Reaction products of pteridine and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1989-05-16 US disclosed
US-4755600-A Reaction products of pyrazine, pyridine, quinoline and quinoxaline derivatives and 4-isopropenyl-1-cyclohexene-1-carboxaldehyde THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4680347-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1987-07-14 US disclosed
EP-0220204-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1987-05-06 EP disclosed
US-4629770-A Thermosettable polystyrylpyrazine polymers terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-12-16 US disclosed
WO-1986006386-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1986-11-06 WO disclosed
US-4575542-A Thermosettable polystyrylpyridine prepolymer terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-03-11 US disclosed