SCHEMBL9045253

SCHEMBL9045253

Cc1ccccc1CC(=O)S

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.55
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 1/20 0.49
SHBG P04278 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MAPK8 P45983 1/20 0.43
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.42
PTGS2 P35354 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2935824 0.82 CTBP2 (0.58) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL80264 0.81 CTBP2 (0.53) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL29631318 0.80 AKR1B1 (0.61) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL8285 0.80 AKR1B1 (0.61) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL30446395 0.80 CTBP2 (0.56) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL14651444 0.80 GABRA1 (0.44) SHBGPTGS2POLB
SCHEMBL2528595 0.80 AKR1B1 (0.61) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL9772469 0.80 CTBP2 (0.56) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL1259145 0.80 CTBP2 (0.56) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL782187 0.80 CTBP2 (0.56) CTBP2KMT2AMEN1MAPTSHBG

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-0641207-A4 ENANTIOMERIC CYNEMICIN ANALOGS, PREPARATION AND USE THEREOF. SCRIPPS RESEARCH INST (US) 1996-08-14 EP disclosed
US-5527805-A DNA-CLEAVING, CYTOTOXIC AND ANTI-TUMOR COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 1996-06-18 US disclosed
EP-0641207-A1 ENANTIOMERIC CYNEMICIN ANALOGS, PREPARATION AND USE THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 1995-03-08 EP disclosed
US-5281710-A Antibiotics or antitumor agents THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-25 US disclosed
WO-1993023046-A1 ENANTIOMERIC CYNEMICIN ANALOGS, PREPARATION AND USE THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 1993-11-25 WO disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed