SCHEMBL1956567

SCHEMBL1956567

C1CC2(CCN1)OCCO2.COC(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.42
▸ SLC6A4 P31645 4/20 0.42
▸ SLC6A3 Q01959 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR6 P50406 3/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL2831091 0.94 SMN1; SMN2 (0.43) SLC6A2SLC6A4SLC6A3SMN1; SMN2HTR6
SCHEMBL1958272 0.89 KMT2A (0.42) SLC6A2SLC6A4SLC6A3SMN1; SMN2HTR6
SCHEMBL1955377 0.85 LTA4H (0.53) SLC6A2SLC6A4SLC6A3HTR6LTA4H
SCHEMBL17893686 0.81 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL16056102 0.78 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL16055437 0.78 HIF1A (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
Tert-Butyl Formate SCHEMBL27850274 0.77 LTA4H (0.44) SLC6A2SLC6A4SLC6A3HTR6LTA4H
SCHEMBL1957162 0.76 CYP2C9 (0.47) SMN1; SMN2HTR6KDM4EALDH1A1KMT2A
SCHEMBL27910608 0.76 MAPT (0.51) SMN1; SMN2HTR6KDM4EALDH1A1KMT2A
SCHEMBL17893671 0.76 PRKDC (0.53) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1

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
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 — — EP disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 — — EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 — — WO disclosed
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