SCHEMBL4453291

SCHEMBL4453291

CCCCCCCCC#CC#CCCCC(N)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 5/20 0.72
▸ HMGCR P04035 7/20 0.67
▸ RECQL P46063 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ SELP P16109 1/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ FAAH O00519 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL3796753 1.00 PTPN7 (0.72) PTPN7HMGCRRECQLTDP1SELP
Alcohol SCHEMBL6424529 0.96 PTPN7 (0.68) PTPN7HMGCRRECQLTDP1SELP
SCHEMBL1918073 0.96 HMGCR (0.72) PTPN7HMGCRRECQLTDP1SELP
SCHEMBL2182049 0.96 HMGCR (0.72) PTPN7HMGCRRECQLTDP1SELP
SCHEMBL4225757 0.96 HMGCR (0.72) PTPN7HMGCRRECQLTDP1SELP
SCHEMBL2181335 0.96 HMGCR (0.72) PTPN7HMGCRRECQLTDP1SELP
SCHEMBL2201502 0.96 HMGCR (0.72) PTPN7HMGCRRECQLTDP1SELP
SCHEMBL4231623 0.96 HMGCR (0.72) PTPN7HMGCRRECQLTDP1SELP
SCHEMBL2180780 0.96 HMGCR (0.72) PTPN7HMGCRRECQLTDP1SELP
Propylamine SCHEMBL942324 0.94 PTPN7 (0.66) PTPN7HMGCRRECQLTDP1SELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597844-B2 Plural intrinsic expiration initiation application indicators CMC DAYMARK CORPORATION (US) 2009-10-06 — — US claimed
WO-2003085397-A2 PLURAL INTRINSIC EXPIRATION INITIATION APPLICATION INDICATORS CMC DAYMARK CORPORATION (US) 2003-10-16 — — WO claimed
EP-1297333-A2 INGESTIBLES POSSESSING INTRINSIC COLOR CHANGE Segan Industries, Inc. (US) 2003-04-02 — — EP disclosed
WO-2002000920-A2 INGESTIBLES POSSESSING INTRINSIC COLOR CHANGE SEGAN INDUSTRIES, INC. (US) 2002-01-03 — — WO disclosed
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