SCHEMBL8973003

SCHEMBL8973003

O=S(=O)(Cl)c1cc2ccc(Cl)cc2cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.44
CYP2A6 P11509 1/20 0.43
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAOB P27338 1/20 0.38
PPARG P37231 1/20 0.37
MCL1 Q07820 3/20 0.36
ALDH1A1 P00352 1/20 0.36
F11 P03951 1/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1B1 P15121 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 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
SCHEMBL29386495 0.77 MCL1 (0.55) TRPV4MCL1ALDH1A1TSHRHPGD
SCHEMBL444929 0.77 TRPV4 (0.57) TRPV4MCL1ALDH1A1TSHRHPGD
SCHEMBL198172 0.77 MCL1 (0.55) TRPV4MCL1ALDH1A1TSHRHPGD
SCHEMBL29519358 0.77 TRPV4 (0.57) TRPV4MCL1ALDH1A1TSHRHPGD
SCHEMBL8557932 0.76 CYP2A6 (0.62) CYP2A6MAOBALDH1A1F11TSHR
SCHEMBL791522 0.74 CYP2A6 (0.48) TRPV4CYP2A6CA12CA1CA2
SCHEMBL1991714 0.73 TRPV4 (0.50) TRPV4CA12CA1CA2CA9
SCHEMBL31387939 0.72 CYP2A6 (0.46) TRPV4CYP2A6CA12CA1CA2
SCHEMBL5730048 0.72 CYP2A6 (0.46) TRPV4CYP2A6CA12CA1CA2
SCHEMBL8973576 0.72 MAPT (0.45) ALDH1A1HPGDL3MBTL1ITGA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35279-E ALDOSE REDUCTASE INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
US-5202339-A Hypoglycemic, hypolipedemic agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0305947-B1 HYDANTOIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS THEIR USE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-07-29 EP disclosed
US-5004751-A Antidiabetic agents; aldoe reductase inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed
US-4914099-A TREATMENT OR PREVENTION OF DIABETIC COMPLICATIONS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US disclosed
WO-1989001934-A1 HYDANTOIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-03-09 WO disclosed
EP-0305947-A1 Hydantoin derivatives, process for their preparation and pharmaceutical compositions containing the same as well as their use MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-03-08 EP disclosed