SCHEMBL24453035

SCHEMBL24453035

O=C(OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F)C1Cc2ccc(OCC3CO3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 3/20 0.38
TSHR P16473 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
FAAH O00519 11/20 0.34
TDP1 Q9NUW8 1/20 0.33
MCHR1 Q99705 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL24453032 0.92 FAAH (0.41) ALDH1A1PKMLMNAGAAFAAH
SCHEMBL24452536 0.80 ALDH1A1 (0.47) ALDH1A1PKMLMNAGAATP53
SCHEMBL24453071 0.80 ALDH1A1 (0.40) ALDH1A1PKMLMNAGAATP53
SCHEMBL24453069 0.78 ALDH1A1 (0.47) ALDH1A1PKMLMNAGAATP53
SCHEMBL24453072 0.78 ALDH1A1 (0.39) ALDH1A1PKMLMNAGAATP53
SCHEMBL24452959 0.78 ALDH1A1 (0.39) ALDH1A1PKMLMNAGAATP53
SCHEMBL24452958 0.78 ALDH1A1 (0.45) ALDH1A1PKMLMNAGAATP53
SCHEMBL24453064 0.78 ALDH1A1 (0.46) ALDH1A1PKMLMNAGAATP53
SCHEMBL24453034 0.76 ALDH1A1 (0.39) ALDH1A1PKMLMNAGAATP53
SCHEMBL24452532 0.74 TP53 (0.32) TP53CYP3A4

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
US-20220160281-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-26 US disclosed