SCHEMBL9683076

SCHEMBL9683076

CCC(C(=O)O)C(CC)(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
PSIP1 O75475 1/20 0.40
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
CCR5 P51681 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL5412117 0.79 ATM (0.42) HSD11B1PSIP1ATML3MBTL1CA1
SCHEMBL9242224 0.76 MMP2 (0.35) L3MBTL1CA1CA2CA7CA14
SCHEMBL7906867 0.76 HSD11B1 (0.47) HSD11B1PSIP1L3MBTL1GAAPKM
SCHEMBL155621 0.75 ALDH1A1 (0.32) L3MBTL1ALDH1A1
SCHEMBL5158536 0.74 PSIP1 (0.47) HSD11B1PSIP1ATML3MBTL1GAA
SCHEMBL33347 0.74 ALDH1A1 (0.31) L3MBTL1ALDH1A1
SCHEMBL27618765 0.74 ALDH1A1 (0.31) L3MBTL1ALDH1A1
SCHEMBL5013321 0.74 ALDH1A1 (0.31) L3MBTL1ALDH1A1
SCHEMBL20502359 0.73 PSIP1 (0.45) HSD11B1PSIP1ATML3MBTL1ALDH1A1
SCHEMBL28779828 0.71 KIF11 (0.43) ALDH1A1SMN1; SMN2KIF11

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-5091431-A Hypotensive agents SCHERING CORPORATION (US) 1992-02-25 US disclosed
EP-0330004-A1 Nucleoside-type compounds as phosphodiesterase inhibitors SCHERING CORPORATION (US) 1989-08-30 EP disclosed
WO-1989007102-A1 NULCEOSIDETYPE COMPOUNDS WHICH ARE PHOSPHODIESTERASE INHIBITORS SCHERING CORPORATION (US) 1989-08-10 WO disclosed