SCHEMBL19984817

SCHEMBL19984817

COc1ccc(C(c2ccccc2)C(O)I)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.54
PBRM1 Q86U86 1/20 0.53
CA4 P22748 1/20 0.46
CNR2 P34972 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LTA4H P09960 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PAX8 Q06710 1/20 0.44
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 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
SCHEMBL19984777 0.92 CA12 (0.48) ACP3PBRM1ALDH1A1L3MBTL1NPSR1
SCHEMBL5941221 0.84 PBRM1 (0.62) ACP3PBRM1CA4CNR2ALDH1A1
SCHEMBL8429413 0.84 PBRM1 (0.62) ACP3PBRM1CA4CNR2ALDH1A1
SCHEMBL19984901 0.84 CNR2 (0.50) CNR2ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL15617631 0.83 ACP3 (0.56) ACP3PBRM1CA4CNR2ALDH1A1
SCHEMBL19984820 0.82 LMNA (0.44) ALDH1A1L3MBTL1LMNACYP2D6TSHR
SCHEMBL477466 0.80 ACP3 (0.61) ACP3PBRM1CA4CNR2ALDH1A1
SCHEMBL6873530 0.80 ACP3 (0.61) ACP3PBRM1CA4CNR2ALDH1A1
SCHEMBL477621 0.80 ACP3 (0.61) ACP3PBRM1CA4CNR2ALDH1A1
SCHEMBL477389 0.80 ACP3 (0.61) ACP3PBRM1CA4CNR2ALDH1A1

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed