SCHEMBL8097035

SCHEMBL8097035

COC(=O)C(O)=CC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HPGD P15428 2/20 0.47
CXCL12 P48061 1/20 0.45
SRD5A2 P31213 1/20 0.44
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40

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
SCHEMBL727067 1.00 TSHR (0.49) TSHRHPGDCXCL12SRD5A2NPC1
SCHEMBL5023402 0.84 ALDH1A1 (0.46) TSHRHPGDCXCL12SRD5A2MAPT
SCHEMBL5023406 0.84 ALDH1A1 (0.46) TSHRHPGDCXCL12SRD5A2MAPT
SCHEMBL5023404 0.84 ALDH1A1 (0.46) TSHRHPGDCXCL12SRD5A2MAPT
SCHEMBL2235288 0.82 GAA (0.50) TSHRHPGDNPC1MAPTRAB9A
SCHEMBL2235285 0.82 GAA (0.50) TSHRHPGDNPC1MAPTRAB9A
SCHEMBL727056 0.82 TSHR (0.57) TSHRHPGDSRD5A2NPC1MAPT
SCHEMBL726538 0.82 TSHR (0.57) TSHRHPGDSRD5A2NPC1MAPT
SCHEMBL727057 0.82 TSHR (0.57) TSHRHPGDSRD5A2NPC1MAPT
SCHEMBL8367177 0.78 KDM4E (0.62) TSHRHPGDSRD5A2NPC1MAPT

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-6048896-A FOR TREATMENT OF BRAIN OR NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 2000-04-11 US disclosed