SCHEMBL11275656

SCHEMBL11275656

O=C(O)CCCCC#CCBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 5/20 0.61
▸ HMGCR P04035 3/20 0.61
▸ MAPT P10636 2/20 0.52
▸ RECQL P46063 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 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
SCHEMBL11795105 0.98 PTPN7 (0.64) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL11525743 0.93 PTPN7 (0.53) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL21682850 0.88 PTPN7 (0.74) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL196242 0.85 PTPN7 (0.78) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL22540045 0.85 PTPN7 (0.78) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL196457 0.85 PTPN7 (0.78) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL4972624 0.83 PTPN7 (0.68) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL28386570 0.81 PTPN7 (0.72) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL29574312 0.81 PTPN7 (0.72) PTPN7HMGCRMAPTRECQLTDP1
SCHEMBL11211890 0.80 PTPN7 (0.44) PTPN7HMGCRMAPTRECQLTDP1

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-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 — — US disclosed
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 — — US disclosed
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