SCHEMBL30661998

SCHEMBL30661998

CCCCCOc1cc(B(O)O)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ SOAT1 P35610 1/20 0.45
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ PTPN11 Q06124 4/20 0.44
▸ LPL P06858 2/20 0.42
▸ LIPG Q9Y5X9 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTPN1 P18031 2/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL7925716 1.00 KDM4E (0.45) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL8880080 0.81 KDM4E (0.51) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL1458309 0.81 LPL (0.47) PTPN11LPLLIPGALDH1A1
SCHEMBL9194402 0.80 KDM4E (0.50) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL9636701 0.80 KDM4E (0.50) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL9224458 0.80 KDM4E (0.50) KDM4ESOAT1THRATHRBPTPN11
Methane SCHEMBL27790275 0.80 KDM4E (0.50) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL6736805 0.79 LPL (0.49) PTPN11LPLLIPGALDH1A1
SCHEMBL8445521 0.79 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2ADRB2MEN1
SCHEMBL15574397 0.78 PTPN11 (0.56) SOAT1THRATHRBPTPN11PTPN1

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
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 — — CN claimed
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 — — CN disclosed
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