SCHEMBL7362867

SCHEMBL7362867

CCOC(=O)COc1ccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)C(=O)[C@H]2Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.42
TP53 P04637 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STS P08842 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
P2RX7 Q99572 3/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8477292 1.00 YAP1 (0.42) YAP1TP53LMNAMAPTTHRB
SCHEMBL8479980 0.93 TP53 (0.42) TP53LMNAGPR119P2RX7
Hydrochloric Acid SCHEMBL8473467 0.86 ALDH1A1 (0.39) TP53MAPTL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL8473462 0.86 ALDH1A1 (0.39) TP53MAPTL3MBTL1SMN1; SMN2
SCHEMBL7363095 0.80 GPR119 (0.46) GPR119
SCHEMBL7364915 0.79 GPR119 (0.45) LMNAMAPTGPR119SMN1; SMN2
SCHEMBL8474677 0.79 TP53 (0.42) TP53LMNAMAPTGPR119P2RX7
SCHEMBL8474670 0.79 TP53 (0.42) TP53LMNAMAPTGPR119P2RX7
Hydrochloric Acid SCHEMBL7359799 0.79 RAB9A (0.39) SMN1; SMN2
SCHEMBL7365804 0.77 GPR119 (0.56) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed