SCHEMBL2836085

SCHEMBL2836085

CC(C)c1cc(-c2cc(C(C)C)c(OCC3CO3)c(C(C)C)c2)cc(C(C)C)c1OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
PPARG P37231 1/20 0.39
SRD5A2 P31213 1/20 0.39
HMGCR P04035 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL2835833 0.87 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2828882 0.87 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2832845 0.86 TSHR (0.41) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2833472 0.84 ALDH1A1 (0.53) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2829264 0.83 SRD5A2 (0.37) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL9615803 0.83 ALDH1A1 (0.38) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL6785335 0.83 TSHR (0.51) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL3677230 0.83 TSHR (0.51) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2832835 0.82 SRD5A2 (0.36) ALDH1A1TSHRTP53HIF1ASMN1; SMN2
SCHEMBL2832844 0.82 ALDH1A1 (0.33) ALDH1A1TSHRTP53HIF1ASMN1; SMN2

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