SCHEMBL9568574

SCHEMBL9568574

CCC(CC)Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
NT5E P21589 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37
PSIP1 O75475 1/20 0.37
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9568600 0.90 CA2 (0.39) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL9325591 0.87 CA2 (0.40) LMNAALDH1A1TSHRSMN1; SMN2CA2
SCHEMBL9542131 0.85 CA2 (0.41) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL29051923 0.84 NR1I2 (0.43) LMNASMN1; SMN2CA2CA1
SCHEMBL9615905 0.83 LMNA (0.42) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL18636107 0.83 LMNA (0.42) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL20257089 0.81 CA2 (0.62) SMN1; SMN2CA2CA1CA7CA14
SCHEMBL6266176 0.80 ALDH1A1 (0.58) LMNAALDH1A1TSHRSMN1; SMN2CA2
SCHEMBL10954373 0.79 LMNA (0.38) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL29024318 0.78 ALDH1A1 (0.47) LMNAALDH1A1TSHRNT5ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 EP disclosed