SCHEMBL29953443

SCHEMBL29953443

OB(O)c1cc(C(F)(F)F)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.43
PTPN1 P18031 2/20 0.42
TRPV6 Q9H1D0 1/20 0.39
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
KIF11 P52732 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL30117491 0.83 GPR84 (0.38) MGLLPTPN1KIF11ALDH1A1KDM4E
SCHEMBL16351784 0.83 GPR84 (0.38) MGLLPTPN1KIF11ALDH1A1KDM4E
SCHEMBL29955583 0.82 MGLL (0.49) MGLLTRPV6KIF11ALDH1A1TSHR
SCHEMBL7306054 0.77 PTPN1 (0.67) PTPN1P2RX1P2RX3P2RX4P2RX7
SCHEMBL29955210 0.76 CYP1A2 (0.43) MGLLALDH1A1KDM4EMAPTMEN1
SCHEMBL31176579 0.76 CYP1A2 (0.43) MGLLALDH1A1KDM4EMAPTMEN1
SCHEMBL17728164 0.76 CYP1A2 (0.43) MGLLALDH1A1KDM4EMAPTMEN1
SCHEMBL23565161 0.74 PTPN1 (0.39) PTPN1P2RX1P2RX3P2RX4P2RX7
SCHEMBL29951136 0.74 ACP1 (0.41) KIF11
SCHEMBL7670971 0.73 PTPN1 (0.41) PTPN1P2RX1P2RX3P2RX4P2RX7

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed