SCHEMBL28684202

SCHEMBL28684202

CC=Cc1ccc(C(O)CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PLAU P00749 1/20 0.36
CNR2 P34972 1/20 0.36
RIPK1 Q13546 1/20 0.34
MAPK1 P28482 1/20 0.33
PTGS2 P35354 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
AOC3 Q16853 1/20 0.33
TYR P14679 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 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
SCHEMBL28110490 0.79 ALDH1A1 (0.46) KDM4EALDH1A1TSHRPLAURIPK1
SCHEMBL28695977 0.74 AOC3 (0.41) KDM4ELMNARIPK1AOC3TYR
SCHEMBL3176056 0.74 ALDH1A1 (0.42) KDM4EALDH1A1LMNATSHRRIPK1
SCHEMBL10270300 0.73 LMNA (0.43) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL15240750 0.71 TAAR1 (0.58) KDM4EALDH1A1LMNACYP3A4TSHR
SCHEMBL3185372 0.71 AOC3 (0.52) LMNATP53TSHRMAPK1AOC3
SCHEMBL8115632 0.71 AOC3 (0.52) LMNATP53TSHRMAPK1AOC3
SCHEMBL8113426 0.71 AOC3 (0.52) LMNATP53TSHRMAPK1AOC3
SCHEMBL31124842 0.71 CYP3A4 (0.50) KDM4EALDH1A1LMNATP53CYP3A4
SCHEMBL3183272 0.70 AOC3 (0.50) KDM4ELMNATP53CYP3A4TSHR

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
CN-114031971-A Perovskite precursor ink and perovskite light-emitting device and application thereof 广东聚华印刷显示技术有限公司 2022-02-11 CN disclosed