SCHEMBL21775754

SCHEMBL21775754

Cc1ccc(C(c2cc(C)c(OCC3CO3)c(C)c2)c2cc(C)c(OCC3CO3)c(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
PKM P14618 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
PDK1 Q15118 1/20 0.32

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
SCHEMBL3677784 0.91 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL23627375 0.89 ALDH1A1 (0.41) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL21775834 0.88 TSHR (0.36) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL17897424 0.83 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL16640986 0.83 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL9738048 0.81 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL26299286 0.79 ALDH1A1 (0.47) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL4470150 0.79 ALDH1A1 (0.50) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL10695385 0.78 ALDH1A1 (0.40) ALDH1A1GLASMN1; SMN2TP53TSHR
SCHEMBL23627373 0.78 TSHR (0.34) ALDH1A1GLASMN1; SMN2TP53TSHR

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-2020040161-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed