SCHEMBL7775889

SCHEMBL7775889

COc1ccc(Br)c(-c2ccc(OC(C)=O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ GAPDH P04406 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL7777307 0.83 ABL1 (0.50) BACE1SMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL7778332 0.80 ESR2 (0.57) BACE1SMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL30610973 0.80 HDAC3 (0.51) SMN1; SMN2HPGDKDM4ECYP1A2CYP2D6
SCHEMBL8460805 0.78 BACE1 (0.57) BACE1SMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL2608606 0.77 HSD17B10 (0.66) BACE1SMN1; SMN2HSD17B10ALDH1A1F2
SCHEMBL14700512 0.77 HSD17B10 (0.66) BACE1SMN1; SMN2HSD17B10ALDH1A1F2
SCHEMBL6173663 0.77 BACE1 (0.56) BACE1SMN1; SMN2HSD17B10ALDH1A1F2
SCHEMBL30610959 0.77 MAPT (0.47) HSD17B10ALDH1A1KDM4ELMNAGAA
SCHEMBL27627378 0.77 KDM4E (0.53) BACE1ALDH1A1KDM4ELMNACYP3A4
SCHEMBL9912737 0.77 MAPT (0.47) HSD17B10ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 — — EP claimed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 — — WO claimed
EP-1121125-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2001-08-08 — — EP disclosed
WO-2000021535-A1 PHARMACEUTICAL FORMULATIONS FOR USE IN ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 2000-04-20 — — WO disclosed
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