SCHEMBL21156547

SCHEMBL21156547

CC(C)C(C)c1ccc(OCC2CO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TP53 P04637 3/20 0.57
TSHR P16473 3/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HIF1A Q16665 2/20 0.57
CYP1A2 P05177 1/20 0.57
PPARG P37231 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
PKM P14618 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
GLA P06280 1/20 0.44
GRM2 Q14416 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
FGFR1 P11362 1/20 0.37

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
SCHEMBL7783952 0.89 ALDH1A1 (0.55) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL234681 0.86 ALDH1A1 (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL7966302 0.86 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL3143396 0.86 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL7966299 0.86 KMT2A (0.60) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL21259503 0.84 ALDH1A1 (0.62) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL6437258 0.83 ALDH1A1 (0.57) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL6437264 0.83 ALDH1A1 (0.57) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL17359243 0.82 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD
SCHEMBL22294896 0.82 TDP1 (0.63) ALDH1A1TP53TSHRMAPTHPGD

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-20210124265-A1 Photosensitive Resin Composition And Cured Product Therefrom NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2021-04-29 US disclosed
US-10344177-B2 Under layer film-forming composition for imprints and method for forming pattern FUJIFILM CORPORATION (JP) 2019-07-09 US disclosed