SCHEMBL2829952

SCHEMBL2829952

CCc1cc(Cc2cc(CC)c(OCC3CO3)c(CC)c2)cc(CC)c1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MGLL Q99685 2/20 0.36
DHFR P00374 1/20 0.35
VDR P11473 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
SCHEMBL2831486 0.90 ALDH1A1 (0.42) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2833191 0.86 SMN1; SMN2 (0.42) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2831306 0.86 ALDH1A1 (0.44) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2829958 0.84 MEN1 (0.35) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL19354024 0.83 ALDH1A1 (0.42) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2833378 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ADHFR
SCHEMBL9738236 0.82 ALDH1A1 (0.41) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL2834158 0.81 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2TDP1MEN1
SCHEMBL1357523 0.81 ALDH1A1 (0.47) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL20782123 0.81 ALDH1A1 (0.40) ALDH1A1TP53TSHRHIF1ACYP3A4

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
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed