SCHEMBL20202507

SCHEMBL20202507

COc1ccc(C2(c3ccc(OC(=O)c4ccc5cc(C(=O)Oc6ccc(C7(c8ccc(OC(=O)c9ccc(Oc%10ccc(C(C)=O)cc%10)cc9)cc8)CC(C)CC(C)(C)C7)cc6)ccc5c4)cc3)CC(C)CC(C)(C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KMT2A Q03164 6/20 0.39
GBA1 P04062 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20202508 0.95 ESR1 (0.46) ESR1ESR2KMT2AMAPTHPGD
SCHEMBL20202509 0.94 ESR1 (0.42) ESR1ESR2KMT2AGBA1MAPT
SCHEMBL13657596 0.92 ESR1 (0.49) ESR1ESR2KMT2AMAPTLMNA
SCHEMBL20202504 0.89 ESR1 (0.44) ESR1ESR2KMT2AMAPTLMNA
SCHEMBL20202506 0.86 KMT2A (0.38) ESR1ESR2KMT2AMAPTLMNA
SCHEMBL20202503 0.86 ESR1 (0.36) ESR1ESR2KMT2AMAPTHPGD
SCHEMBL14580094 0.83 ESR1 (0.50) ESR1ESR2KMT2AMAPTRAB9A
SCHEMBL16979798 0.81 ESR1 (0.46) ESR1ESR2KMT2AMAPTHPGD
SCHEMBL14064751 0.80 ESR1 (0.49) ESR1ESR2KMT2AMAPTHPGD
SCHEMBL20202511 0.79 AVPR1A (0.37) ESR1ESR2KMT2AMAPTHPGD

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-20180148538-A1 POLYARYLATE RESIN AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2018-05-31 US disclosed