SCHEMBL9280926

SCHEMBL9280926

C=CCC(=O)Oc1ccccc1CC=C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 4/20 0.46
ADRB2 P07550 4/20 0.45
ADRB1 P08588 4/20 0.45
LMNA P02545 2/20 0.45
ADRB3 P13945 2/20 0.45
HTR1A P08908 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A2 P23975 1/20 0.45
BDKRB2 P30411 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL11604059 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL29094175 0.85 KDM4E (0.48) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL10192351 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL31112271 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL278521 0.84 KDM4E (0.49) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL7157956 0.84 KDM4E (0.49) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL15624131 0.84 AKR1C3 (0.48) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL861238 0.83 KDM4E (0.51) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL5448543 0.83 KDM4E (0.48) ALDH1A1KDM4EADRB2ADRB1LMNA
SCHEMBL23422701 0.83 THRA (0.48) ALDH1A1KDM4EADRB2ADRB1LMNA

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
EP-0530905-B1 Process for preparing carboxylated 2-allyl-phenols ENIRICERCHE SPA (IT) 1995-11-29 EP claimed
EP-0530905-A2 Process for preparing carboxylated 2-allyl-phenols ENIRICERCHE S.p.A. (IT) 1993-03-10 EP claimed
JP-5221922-A None JP disclosed
EP-0530905-B1 Process for preparing carboxylated 2-allyl-phenols ENIRICERCHE SPA (IT) 1995-11-29 EP disclosed
US-5296638-A Process for preparing carboxylated 2-allyl-phenols ENIRICERCHE S.P.A. (IT) 1994-03-22 US disclosed
US-5296638-A Process for preparing carboxylated 2-allyl-phenols ENIRICERCHE S.P.A. (IT) 1994-03-22 US disclosed
JP-H05221922-A PREPARATION OF CARBOXYLATED 2-ALLYL-PHENOL ENIRICERCHE SPA 1993-08-31 JP disclosed
EP-0530905-A2 Process for preparing carboxylated 2-allyl-phenols ENIRICERCHE S.p.A. (IT) 1993-03-10 EP disclosed
EP-0530905-A2 Process for preparing carboxylated 2-allyl-phenols ENIRICERCHE S.p.A. (IT) 1993-03-10 EP disclosed