SCHEMBL6828099

SCHEMBL6828099

CC1(C)Oc2cc(O)ccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
RECQL P46063 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
SMAD3 P84022 1/20 0.47
PRMT1 Q99873 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
FTO Q9C0B1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PDK2 Q15119 3/20 0.45
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
GPR55 Q9Y2T6 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL30629205 0.88 KDM4E (0.50) MAPTMEN1KMT2ATDP1RECQL
SCHEMBL26768304 0.88 KDM4E (0.50) MAPTMEN1KMT2ATDP1RECQL
SCHEMBL17108442 0.82 PGR (0.36) MAPTMEN1KMT2ATDP1RECQL
SCHEMBL26767373 0.82 KDM4E (0.45) MAPTALDH1A1KDM4EPDK2ESR2
SCHEMBL26179560 0.80 PDK2 (0.44) PDK2CNR2CNR1
SCHEMBL29833582 0.80 PDK2 (0.34) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL346891 0.80 PDK2 (0.34) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL11843462 0.78 ESR1 (0.46) MAPTMEN1KMT2ATDP1HPGD
SCHEMBL11850892 0.76 FTO (0.40) MAPTMEN1KMT2ATDP1FTO
SCHEMBL26767358 0.76 MAPT (0.43) MAPTMEN1KMT2ATDP1RECQL

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
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed
US-3998962-A ANTIALLERGEN BOEHRINGER INGELHEIM GMBH (DT) 1976-12-21 US disclosed