SCHEMBL17360810

SCHEMBL17360810

O=C(O)Oc1cc2c3c(c1)CCc1cc(OC(=O)O)cc(c1-3)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.32
BACE1 P56817 1/20 0.32
ELANE P08246 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL322525 0.77 LMNA (0.40) TSHRHSD17B10KDM4EMEN1LMNA
SCHEMBL10444174 0.77 KDM4E (0.45) ALOX15TSHRHSD17B10KDM4EMEN1
SCHEMBL875632 0.71 ALOX15 (0.57) ALOX15TSHRHSD17B10KDM4ETP53
SCHEMBL11067870 0.71 ALOX15 (0.62) ALOX15TSHRHSD17B10KDM4ETP53
SCHEMBL1001721 0.70 RXRA (0.42) HSD17B10KDM4EMEN1LMNATTR
SCHEMBL7258244 0.70 KDM4E (0.36) TSHRKDM4EMEN1LMNATTR
SCHEMBL8603982 0.70 KMT2A (0.41) ALOX15TSHRHSD17B10KDM4EMEN1
Hydrochloric Acid SCHEMBL12468468 0.70 ALOX15 (0.56) ALOX15TSHRHSD17B10KDM4ETP53
SCHEMBL10443829 0.69 SRD5A1 (0.59) HSD17B10KDM4EMEN1LMNAMAPT
SCHEMBL5052560 0.69 TPMT (0.50) ALOX15TSHRHSD17B10KDM4ELMNA

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
EP-2764004-B1 METHOD FOR THE PREPARATION OF METAL ORGANIC FRAMEWORKS FUNDACIÓ INST CATALÀ DE NANOCIÈNCIA I NANOTECNOLOGIA (ES) 2015-12-30 EP claimed