SCHEMBL25210351

SCHEMBL25210351

Cc1cc(Cl)c(C)c(S(=O)(=O)O)c1Cl.[LiH]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ FABP5 Q01469 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ CASR P41180 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NMT1 P30419 1/20 0.30

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
SCHEMBL10576669 0.82 CA1 (0.34) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL11296481 0.80 CYP3A4 (0.38) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL3186957 0.80 CYP3A4 (0.33) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL30365121 0.80 CYP3A4 (0.33) CYP3A4CHRM1ALOX15MAOATBXA2R
Lithium Ion SCHEMBL28994757 0.77 LMNA (0.34) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL22000582 0.74 ACLY (0.42) CYP3A4CHRM1ALOX15TBXA2RADRA1A
SCHEMBL10301266 0.72 ALOX15 (0.38) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL28730405 0.70 AHR (0.36) CYP3A4ALOX15ALDH1A1FABP3FABP4
SCHEMBL16231411 0.69 SIRT1 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
Hydrochloric Acid SCHEMBL27286539 0.69 ALDH1A1 (0.36) CYP3A4CHRM1ALOX15MAOATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240060117-A1 ENERGY TRANSFER DYE CONJUGATES FOR USE IN BIOLOGICAL ASSAYS Life Technologies Corporation 2024-02-22 — — US disclosed
EP-4185858-A2 COMPOSITIONS, SYSTEMS AND METHODS FOR BIOLOGICAL ANALYSIS USING DYES Life Technologies Corporation (US) 2023-05-31 — — EP disclosed
EP-4185596-A1 ENERGY TRANSFER DYE CONJUGATES FOR USE IN BIOLOGICAL ASSAYS Life Technologies Corporation (US) 2023-05-31 — — EP disclosed
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