SCHEMBL29040901

SCHEMBL29040901

COc1ccc(P(=O)(C(=O)c2c(Cl)cccc2Cl)C(=O)c2c(Cl)cccc2Cl)c(OC)c1.O=C(c1c(Cl)cccc1Cl)P(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 5/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
HPGD P15428 1/20 0.40
PTGS2 P35354 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PNLIP P16233 1/20 0.39
TOP1 P11387 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL29374850 0.92 MAPT (0.46) POLBMEN1KMT2AMAPTLMNA
SCHEMBL57741 0.92 MAPT (0.46) POLBMEN1KMT2AMAPTLMNA
SCHEMBL7183303 0.81 ABCG2 (0.52) POLBMEN1KMT2AMAPTLMNA
SCHEMBL7625324 0.80 MAPT (0.56) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL7175458 0.80 ABCG2 (0.46) POLBMEN1KMT2AMAPTABCG2
SCHEMBL58229 0.78 ALDH1A1 (0.45) MAPTHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL29715787 0.78 ALDH1A1 (0.47) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7620074 0.78 ALDH1A1 (0.47) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7180432 0.76 ABCG2 (0.50) MEN1KMT2AMAPTLMNAABCG2
SCHEMBL7617365 0.76 CA12 (0.46) POLBMEN1KMT2AMAPTHPGD

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-116507309-A Dental pH sensitive microcapsules 3M创新有限公司 2023-07-28 CN disclosed