SCHEMBL8893994

SCHEMBL8893994

COC(=O)N(c1ccccc1)c1ccccc1CCc1ccccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.49
▸ FOLH1 Q04609 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SLC16A3 O15427 3/20 0.39
▸ TSPO P30536 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CLCN2 P51788 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36

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
SCHEMBL1572008 0.80 AKR1B1 (0.43) ALDH1A1HPGDHSD17B10HTTATM
SCHEMBL3276086 0.74 L3MBTL1 (0.61) ALDH1A1HPGDHSD17B10HTTATM
SCHEMBL30365583 0.73 FOLH1 (0.76) FOLH1ALDH1A1HIF1ASLC16A3KDM4E
SCHEMBL70392 0.73 FOLH1 (0.76) FOLH1ALDH1A1HIF1ASLC16A3KDM4E
SCHEMBL2092803 0.72 L3MBTL1 (0.43) ALDH1A1HPGDHSD17B10HTTATM
SCHEMBL7183167 0.71 TSHR (0.46) PTPN1ALDH1A1LMNACYP2C9HPGD
SCHEMBL9133870 0.70 CYP2C9 (0.57) FOLH1ALDH1A1CYP2C9HIF1AKDM4E
SCHEMBL4243105 0.70 ALDH1A1 (0.57) FOLH1ALDH1A1LMNACYP2C9HIF1A
Ethylene SCHEMBL18893737 0.70 FOLH1 (0.70) FOLH1ALDH1A1HIF1ASLC16A3KDM4E
SCHEMBL8245934 0.70 FOLH1 (0.59) FOLH1ALDH1A1LMNACYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 — — US disclosed
EP-0425212-A2 Cyclic anti-aggregatory peptides SMITHKLINE BEECHAM CORPORATION (US) 1991-05-02 — — EP disclosed
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