SCHEMBL5324027

SCHEMBL5324027

[c]1c(-c2ccc(-c3ccccc3)cc2)ccc2c1CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
CHKA P35790 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TDP1 Q9NUW8 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16531355 0.80 CYP11B1 (0.41) TSHRCYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL717055 0.71 TDP2 (0.46) MEN1NPC1LMNAMAPTHTT
SCHEMBL10651836 0.70 GALR1 (0.36) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL9845507 0.69 CYP11B1 (0.61) TSHRCYP11B1CYP11B2ALDH1A1TDP1
SCHEMBL2300209 0.67 CYP3A4 (0.37) TSHRTDP1CYP3A4
SCHEMBL7001560 0.65 TSHR (0.35) TSHRALDH1A1KDM4EMEN1NPC1
SCHEMBL11068953 0.65 TSHR (0.35) TSHR
SCHEMBL30125264 0.65 CYP11B1 (0.56) TSHRCYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL9201217 0.65 TSHR (0.35) TSHRALDH1A1KDM4EMEN1MAPT
SCHEMBL27445644 0.65 CYP11B1 (0.56) TSHRCYP11B1CYP11B2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007095383-A2 PRODRUGS MYRIAD GENETICS, INC. (US) 2007-08-23 WO disclosed