SCHEMBL9814341

SCHEMBL9814341

CC(=CC(C)(C)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
DEGS1 O15121 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 1/20 0.34
ESRRG P62508 1/20 0.34
DAO P14920 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR1 P03372 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7551195 1.00 KDM1A (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL28792582 0.86 KDM1A (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL713860 0.84 KDM1A (0.42) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL3442786 0.78 KDM1A (0.39) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL3442788 0.78 KDM1A (0.39) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL17616707 0.77 CES1 (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL10604768 0.77 CES1 (0.41) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL14429970 0.77 KDM1A (0.38) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL2989490 0.77 KDM1A (0.38) KDM1ACES2CES1DEGS1ALDH1A1
SCHEMBL4252800 0.75 KDM1A (0.37) KDM1ACES2CES1DEGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126625-A2 Method for the production of phenolic compounds and resins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-28 EP claimed
JP-59213729-A None JP disclosed
EP-0126625-B1 METHOD FOR THE PRODUCTION OF PHENOLIC COMPOUNDS AND RESINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-04 EP disclosed
JP-S59213729-A MANUFACTURE OF PHENOLIC RESIN SUMITOMO CHEM CO LTD 1984-12-03 JP disclosed
EP-0126625-A2 Method for the production of phenolic compounds and resins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-28 EP disclosed