SCHEMBL9326599

SCHEMBL9326599

C=C(C)C(=O)Oc1ccccc1C(c1ccccc1)C(C)OC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
LMNA P02545 3/20 0.33
CYP1A2 P05177 2/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28306321 0.85 HPGD (0.43) ELANEHPGDALDH1A1HSD17B10ESR1
SCHEMBL3454122 0.78 ELANE (0.50) ELANEHPGDALDH1A1TSHRTDP1
SCHEMBL9326980 0.77 THRB (0.40) ELANEHPGDALDH1A1TSHRTDP1
Ether SCHEMBL5095481 0.75 ELANE (0.43) ELANEHPGDALDH1A1TSHRTDP1
SCHEMBL15899545 0.74 HPGD (0.38) HPGDALDH1A1TSHRTDP1KDM4E
SCHEMBL28037218 0.74 HPGD (0.41) ELANEHPGDALDH1A1TSHRESR1
SCHEMBL3926192 0.74 ELANE (0.50) ELANEHPGDALDH1A1TSHRTDP1
SCHEMBL28169708 0.73 ALDH1A1 (0.44) ELANEHPGDALDH1A1TSHRKDM4E
SCHEMBL28846639 0.73 ELANE (0.43) ELANEHPGDALDH1A1TSHRTDP1
SCHEMBL41864 0.73 HCAR2 (0.53) ELANEHPGDALDH1A1HSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368165-B1 Curable resin compositions IDEMITSU PETROCHEMICAL CO (JP) 1994-03-02 EP disclosed
EP-0368165-A2 Curable resin compositions IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1990-05-16 EP disclosed