SCHEMBL7520596

SCHEMBL7520596

O=P(OCc1ccccc1)(OCc1ccccc1)[C](O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
CETP P11597 3/20 0.50
HPGD P15428 1/20 0.47
SRC P12931 1/20 0.46
PDPK1 O15530 1/20 0.46
MTOR P42345 1/20 0.46
ALPG P10696 1/20 0.46
PTK2B Q14289 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
LMNA P02545 1/20 0.44
FOLH1 Q04609 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL4610334 0.82 TSHR (0.60) TSHRCETPSRCALDH1A1NPC1
SCHEMBL11592226 0.82 TSHR (0.60) TSHRCETPALDH1A1NPC1RAB9A
SCHEMBL3367144 0.81 TSHR (0.64) TSHRCETPHPGDSRCPDPK1
SCHEMBL4641409 0.81 TSHR (0.64) TSHRCETPHPGDSRCPDPK1
SCHEMBL4609532 0.80 TSHR (0.58) TSHRCETPPDPK1MTORALDH1A1
SCHEMBL6685550 0.80 TSHR (0.76) TSHRCETPSRCPDPK1MTOR
SCHEMBL27908642 0.80 TSHR (1.00) TSHRCETPSRCPDPK1MTOR
SCHEMBL51316 0.80 TSHR (1.00) TSHRCETPSRCPDPK1MTOR
SCHEMBL206610 0.80 TSHR (0.76) TSHRCETPSRCPDPK1MTOR
SCHEMBL206609 0.79 TSHR (0.68) TSHRCETPSRCPDPK1MTOR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP claimed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP claimed
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed