SCHEMBL8587132

SCHEMBL8587132

CC(c1ccc(S(=O)(=O)O)cc1)P(C(C)c1ccc(S(=O)(=O)O)cc1)C(C)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 2/20 0.45
NT5E P21589 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL29618 0.80 ALDH1A1 (0.56) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL11591763 0.80 LMNA (0.52) LMNAALDH1A1TSHRNT5ESMN1; SMN2
Ammonia Solution, Strong SCHEMBL340601 0.78 ALDH1A1 (0.54) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL10863214 0.78 LMNA (0.50) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL7044927 0.78 ALDH1A1 (0.54) LMNAALDH1A1TSHRNT5ESMN1; SMN2
Hydrochloric Acid SCHEMBL2245621 0.78 ALDH1A1 (0.54) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL25373849 0.77 LMNA (0.48) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL14076638 0.77 LMNA (0.48) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL20853608 0.77 ALDH1A1 (0.52) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL17044646 0.77 LMNA (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789551-A4 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1998-12-02 EP disclosed
EP-0789551-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU, John R. (US) 1997-08-20 EP disclosed
WO-1997011672-A1 HAIR CARE PERMING AGENTS AND PROCESSES LAU JOHN R (US) 1997-04-03 WO disclosed