SCHEMBL22013527

SCHEMBL22013527

CC1CCC(c2ccc(OCC3CO3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 4/20 0.54
TP53 P04637 3/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HIF1A Q16665 2/20 0.54
CYP1A2 P05177 1/20 0.54
PPARG P37231 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP3A4 P08684 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR2 Q92731 1/20 0.46
HRH3 Q9Y5N1 3/20 0.41
GLA P06280 1/20 0.41
CYP2C9 P11712 2/20 0.38

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
SCHEMBL2717675 0.92 TDP1 (0.61) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL14062814 0.86 MAPT (0.42) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL19827451 0.85 RAB9A (0.48) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL3144279 0.85 TDP1 (0.58) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL3133801 0.84 TDP1 (0.56) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL1008668 0.84 TDP1 (0.56) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL3135906 0.84 TDP1 (0.56) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL3133625 0.84 ALDH1A1 (0.57) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL21791564 0.83 TDP1 (0.51) ALDH1A1TSHRTP53HPGDMAPT
SCHEMBL14062950 0.83 ALDH1A1 (0.53) ALDH1A1TSHRTP53HPGDMAPT

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
US-10662279-B2 Epoxy resin composition, semi-cured epoxy resin composition, cured epoxy resin composition, molded article, and cured molded article HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-05-26 US disclosed