SCHEMBL8993502

SCHEMBL8993502

CCOC(=O)C1CC=C(c2ccc(S(=O)(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16477199 0.83 ALOX15 (0.43) ALDH1A1L3MBTL1KMT2ARAB9AMEN1
SCHEMBL38657760 0.83 ALOX15 (0.43) ALDH1A1LMNAL3MBTL1KMT2ARAB9A
SCHEMBL2511600 0.83 CDK9 (0.52) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL15897676 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AHTTMEN1
SCHEMBL2511601 0.83 CDK9 (0.52) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL2508847 0.83 ATM (0.47) ALDH1A1L3MBTL1KMT2APKMRAB9A
SCHEMBL2508849 0.83 ATM (0.47) ALDH1A1L3MBTL1KMT2APKMRAB9A
SCHEMBL28559709 0.81 MAPT (0.57) ALDH1A1LMNAKMT2AHTTPKM
SCHEMBL20588753 0.81 CDK9 (0.41) ALDH1A1L3MBTL1KMT2AHTTRAB9A
SCHEMBL14755669 0.81 PARP10 (0.44) HTTALOX15TSHRMAPK1

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
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed