SCHEMBL8646151

SCHEMBL8646151

COc1ccc(C(C)(C)CC(C)(C)C)cc1S(=O)(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MDH1 P40925 1/20 0.40
MDH2 P40926 1/20 0.40
SHBG P04278 1/20 0.40
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALPL P05186 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10642296 0.88 TRPV4 (0.45) TRPV4SMN1; SMN2ALDH1A1KMT2AGLA
SCHEMBL4944543 0.83 SMN1; SMN2 (0.56) TRPV4SMN1; SMN2ALDH1A1KMT2AGLA
SCHEMBL8646152 0.81 CNR2 (0.53) TRPV4POLB
SCHEMBL10511423 0.81 LMNA (0.46) SMN1; SMN2ALDH1A1MDH1MDH2SHBG
SCHEMBL1036692 0.81 ALPL (0.52) TRPV4SMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL31525522 0.81 TRPV4 (0.47) TRPV4SMN1; SMN2ALDH1A1KMT2AGLA
SCHEMBL7651309 0.79 ESR1 (0.41) SMN1; SMN2ALDH1A1KMT2ATSHRMAPK1
SCHEMBL31172829 0.78 ALDH1A1 (0.41) TRPV4SMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL4193369 0.77 TRPV4 (0.44) TRPV4SMN1; SMN2ALDH1A1KMT2AGLA
SCHEMBL6152034 0.76 SHBG (0.43) SMN1; SMN2ALDH1A1MDH1MDH2SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545491-B1 Photographic silver halide colour materials KODAK LTD (GB) 1998-10-14 EP disclosed
EP-0565165-B1 Photographic silver halide colour materials KODAK LTD (GB) 1998-09-02 EP disclosed
US-5415981-A Sulfohydrazide developer, heteroarylacetonitrile color coupler EASTMAN KODAK COMPANY (US) 1995-05-16 US disclosed
US-5284739-A Devloper and coupler present in drops of a high-boiling solvent; water pollution control EASTMAN KODAK COMPANY (US) 1994-02-08 US disclosed
EP-0565165-A1 Photographic silver halide colour materials KODAK LIMITED (GB) 1993-10-13 EP disclosed
EP-0545491-A1 Photographic silver halide colour materials KODAK LIMITED (GB) 1993-06-09 EP disclosed