SCHEMBL29953675

SCHEMBL29953675

COCOc1ccc(C(F)(F)F)cc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
MGLL Q99685 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LIPE Q05469 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
EGFR P00533 1/20 0.36
RXRA P19793 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
SCHEMBL30994957 0.88 KDM4E (0.39) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL1042131 0.88 KDM4E (0.39) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL15674823 0.86 EGFR (0.48) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL986881 0.84 CYP1A2 (0.55) KDM4EKMT2AALDH1A1HPGDCYP1A2
SCHEMBL29950647 0.84 CYP1A2 (0.55) KDM4EKMT2AALDH1A1HPGDCYP1A2
SCHEMBL319585 0.82 ENPP2 (0.47) KDM4EKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29588618 0.82 ENPP2 (0.47) KDM4EKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4870587 0.81 KDM4E (0.44) KDM4EHTTKMT2AALDH1A1HPGD
SCHEMBL14029250 0.80 PTGDR2 (0.52) KDM4EHTTKMT2AALDH1A1CYP1A2
SCHEMBL15329658 0.79 KMT2A (0.40) KDM4EHTTKMT2AALDH1A1HPGD

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