SCHEMBL8975400

SCHEMBL8975400

C[N+](C)(C)CC(CO)OS(=O)(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
HRH1 P35367 1/20 0.38
CYP2C19 P33261 2/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC22A16 Q86VW1 1/20 0.32
TSHR P16473 4/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 1/20 0.31
SLC25A20 O43772 3/20 0.31
CYP2D6 P10635 2/20 0.31
MAPT P10636 2/20 0.31
CYP2C9 P11712 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
Sulfuric Acid SCHEMBL8975451 0.85 MEN1 (0.36) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL4523555 0.79 LMNA (0.54) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3680644 0.79 LMNA (0.54) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL15402945 0.78 TP53 (0.43) MEN1KMT2ATP53TSHR
Sulfuric Acid SCHEMBL15820210 0.70 SLC22A16 (0.46) MEN1KMT2ACYP1A2HRH1TP53
Sulfuric Acid SCHEMBL5787947 0.68 SLC22A16 (0.45) MEN1KMT2ATP53LMNASMN1; SMN2
SCHEMBL725596 0.67 RECQL (0.46) CYP1A2RECQLTP53LMNATSHR
Potassium Ion SCHEMBL725645 0.67 LMNA (0.42) CYP1A2RECQLTP53LMNATSHR
Sulfuric Acid SCHEMBL15821239 0.67 TP53 (0.42) TP53SLC22A16TSHRMAPTCPT2
SCHEMBL8974799 0.67 SLC22A16 (0.43) MEN1KMT2ACYP1A2HRH1CYP2C19

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-5575821-A Process for the preparation of a modified fiber material and process for the dyeing of the modified material with anionic textile dyes HOECHST AG (DE) 1996-11-19 US claimed
US-5507840-A FIBERS MODIFIED WITH COMPOUND CONTAINING HYDROXY, AMINE AND AT LEAST ONE HYDROLYZABLE ESTER GROUPS HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-16 US claimed
EP-0546476-B1 Process for making a modified fiber material and process for dyeing the modified fiber material with anionic dyestuffs HOECHST AG (DE) 1995-08-09 EP claimed