SCHEMBL6846124

SCHEMBL6846124

[CH2]NS(=O)(=O)c1ccc(OCCCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA9 Q16790 3/20 0.62
CA7 P43166 2/20 0.62
MMP1 P03956 2/20 0.58
ADAMTS4 O75173 1/20 0.58
MMP2 P08253 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58
SMN1; SMN2 Q16637 7/20 0.56
LMNA P02545 5/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 5/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL7695500 0.87 ALDH1A1 (0.71) TSHRCA12CA1CA2CA9
SCHEMBL6846126 0.84 TSHR (0.64) TSHRCA12CA1CA2CA9
SCHEMBL27529413 0.83 TSHR (0.58) TSHRCA12CA1CA2CA9
SCHEMBL6378121 0.82 CA12 (0.70) TSHRCA12CA1CA2CA9
SCHEMBL28415735 0.80 SMN1; SMN2 (0.71) TSHRCA12CA1CA2CA9
SCHEMBL930267 0.80 CA12 (0.72) TSHRCA12CA1CA2CA9
SCHEMBL96248 0.79 LMNA (0.70) TSHRCA12CA1CA2CA9
SCHEMBL6378122 0.78 CA12 (0.70) TSHRCA12CA1CA2CA9
SCHEMBL15060917 0.78 CA12 (0.70) TSHRCA12CA1CA2CA9
SCHEMBL24069389 0.78 MEN1 (0.63) TSHRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US claimed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO claimed
US-6768024-B1 CONTROLLING OBESITY, SEXUAL DYSFUNCTION OR INFLAMMATION LION BIOSCIENCE AG (DE) 2004-07-27 US disclosed
WO-2002012166-A2 TRIAMINE DERIVATIVE MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME LION BIOSCIENCE AG (DE) 2002-02-14 WO disclosed