SCHEMBL28293994

SCHEMBL28293994

CCCCC(CC)Cc1ccccc1O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 5/20 0.44
CA2 P00918 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 6/20 0.44
KDM4E B2RXH2 2/20 0.43
HTR1A P08908 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSPA5 P11021 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL105941 0.98 LMNA (0.51) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL30763513 0.98 LMNA (0.51) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL28622222 0.92 PRSS1 (0.48) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL28370318 0.92 LMNA (0.49) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL14586738 0.88 HSPA5 (0.43) LMNACA2CYP3A4TSHRHTR1A
SCHEMBL27985286 0.87 TSHR (0.44) LMNAALDH1A1TSHRHTR1AHTT
SCHEMBL11665733 0.87 TSHR (0.44) LMNAALDH1A1TSHRHTR1AHTT
SCHEMBL11803191 0.86 LMNA (0.45) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL1311363 0.86 LMNA (0.44) LMNAALDH1A1CA2CYP3A4TSHR
SCHEMBL153633 0.86 ALDH1A1 (0.47) LMNAALDH1A1CA2CYP3A4TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109666792-B Rare earth extractant and method for separating rare earth yttrium 厦门熙途科技有限公司 2020-12-01 CN disclosed
CN-109750160-B Mixed extracting agent and method for separating rare earth yttrium 厦门稀土材料研究所 2020-12-01 CN disclosed
CN-109750160-A Mixed extracting agent and method for separating rare earth yttrium 厦门稀土材料研究所 2019-05-14 CN disclosed
CN-109666792-A A kind of method of rare-earth extractant and rare-earth separating yttrium 厦门熙途科技有限公司 2019-04-23 CN disclosed