SCHEMBL13503147

SCHEMBL13503147

COc1ccc(-c2ccc(OCOC(C)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ESR2 Q92731 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
PTGER4 P35408 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 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
SCHEMBL10030197 0.87 ALDH1A1 (0.52) MTNR1AMTNR1BLMNAHSD17B10MAPT
SCHEMBL8668866 0.86 MAPT (0.54) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL16657521 0.83 MAPT (0.47) BACE1MTNR1AMTNR1BESR2NPC1
SCHEMBL13503150 0.81 CA1 (0.53) ESR2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12434531 0.80 THRB (0.46) ESR2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14242751 0.79 LMNA (0.55) NPC1LMNAMAPTALDH1A1KMT2A
SCHEMBL19721780 0.79 ALDH1A1 (0.56) BACE1ESR2NPC1RAB9ASMN1; SMN2
SCHEMBL9658508 0.78 MTNR1A (0.59) MTNR1AMTNR1BSMN1; SMN2LMNAMAPT
SCHEMBL12818123 0.78 MAOB (0.51) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL28821681 0.78 TDP1 (0.50) NPC1RAB9ASMN1; SMN2LMNATSHR

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
US-7659353-B2 Hyperbranched polymers THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-02-09 US disclosed
US-7659353-B2 Hyperbranched polymers THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-02-09 US disclosed