SCHEMBL680470

SCHEMBL680470

CCc1ccc(Oc2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.73
RAB9A P51151 2/20 0.73
HPGD P15428 1/20 0.73
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAOB P27338 5/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
GAA P10253 1/20 0.52
MAOA P21397 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
ESRRA P11474 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL22365174 0.95 MAPT (0.66) MAPTRAB9AHPGDKMT2AALDH1A1
SCHEMBL334751 0.88 KMT2A (0.70) MAPTRAB9AHPGDKMT2AALDH1A1
SCHEMBL13686078 0.86 ALDH1A1 (0.55) MAPTRAB9AHPGDKMT2AALDH1A1
SCHEMBL203697 0.85 HPGD (1.00) MAPTRAB9AHPGDKMT2AALDH1A1
SCHEMBL3301210 0.85 HPGD (1.00) MAPTRAB9AHPGDKMT2AALDH1A1
SCHEMBL25175254 0.85 MAPT (0.68) MAPTRAB9AHPGDKMT2AALDH1A1
SCHEMBL18477954 0.85 L3MBTL1 (0.70) MAPTRAB9AHPGDKMT2AALDH1A1
SCHEMBL835345 0.85 ALDH1A1 (0.77) MAPTRAB9AHPGDALDH1A1RXRA
SCHEMBL21628385 0.83 PARP10 (0.70) KMT2AALDH1A1MAOBRXRARXRB
SCHEMBL12199956 0.83 TP53 (0.52) MAPTRAB9AHPGDKMT2AALDH1A1

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-20110278011-A1 MATERIALS AND METHODS FOR TEMPORARILY OBSTRUCTING PORTIONS OF DRILLED WELLS CHEMICAL DELIVERY SYSTEMS, INC. (US) 2011-11-17 US disclosed