SCHEMBL6203971

SCHEMBL6203971

CCOC(=O)c1ccc(Br)c(OCC(=O)c2ccccc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6425637 0.83 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7559624 0.82 MAPT (0.51) TSHRSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6695927 0.82 MEN1 (0.46) TSHRSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6425518 0.82 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL28932909 0.82 SMN1; SMN2 (0.42) TSHRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9119101 0.79 TSHR (0.45) TSHRSMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL5105601 0.78 L3MBTL1 (0.41) TSHRHPGDALDH1A1MAPTLMNA
SCHEMBL8492599 0.77 MAPT (0.52) TSHRNPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6425417 0.77 TSHR (0.38) TSHRNPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6425420 0.77 TSHR (0.38) TSHRNPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed