SCHEMBL10693501

SCHEMBL10693501

Nc1ccccc1CC(O)CO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.34
CYP1A2 P05177 3/20 0.34
KDM4E B2RXH2 2/20 0.34
AGTR1 P30556 1/20 0.34
LMNA P02545 1/20 0.34
SCN9A Q15858 1/20 0.33
KMT2A Q03164 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3068875 0.89 FDPS (0.41) FDPSCYP3A4ALOX15CASP1CASP7
SCHEMBL30480678 0.84 CYP3A4 (0.41) CYP3A4CYP1A2KDM4EAGTR1LMNA
SCHEMBL28177618 0.84 CYP3A4 (0.41) CYP3A4CYP1A2KDM4EAGTR1LMNA
SCHEMBL3725428 0.82 LMNA (0.38) FDPSCYP3A4ALOX15CASP1CASP7
SCHEMBL20749099 0.82 TRPA1 (0.41) FDPSCYP3A4ALOX15CASP1CASP7
SCHEMBL28094028 0.81 ESR1 (0.48) CYP3A4TSHRCYP1A2KDM4EAGTR1
SCHEMBL3391358 0.81 FDPS (0.39) FDPSCYP3A4ALOX15CASP1CASP7
SCHEMBL28107515 0.80 FDPS (0.36) FDPSCYP3A4ALOX15CASP1CASP7
Glycerin SCHEMBL9706702 0.80 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL7065456 0.79 EPHX1 (0.41) FDPSCYP3A4ALOX15CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108179498-A A kind of polymer film and preparation method thereof 江苏华富储能新技术股份有限公司 2018-06-19 CN disclosed
CN-107732115-A A kind of poly-lithium battery and preparation method thereof 江苏华富储能新技术股份有限公司 2018-02-23 CN disclosed
CN-103889711-B Conducting composite junction structure or laminates 赫克塞尔复合材料有限公司 2016-08-17 CN disclosed
EP-0283289-A2 Excitation and detection apparatus for remote sensor connected by optical fiber C.R. BARD, INC. (US) 1988-09-21 EP disclosed
US-RE29577-E Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-03-14 US disclosed
US-3963763-A Anthraquinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-06-15 US disclosed