SCHEMBL9258682

SCHEMBL9258682

CCCCCB(CCCCC)CCCCC.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 3/20 0.40
ANPEP P15144 1/20 0.40
SLC22A1 O15245 3/20 0.37
SLC22A2 O15244 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DNM1 Q05193 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL88650 0.96 TSHR (0.50) TSHRTHRBLMNAANPEPSLC22A1
SCHEMBL11524980 0.96 TSHR (0.50) TSHRTHRBLMNAANPEPSLC22A1
SCHEMBL2078883 0.93 TSHR (0.47) TSHRTHRBLMNAANPEPSLC22A1
SCHEMBL332105 0.93 TSHR (0.57) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL2495893 0.93 TSHR (0.47) TSHRTHRBLMNAANPEPSLC22A1
SCHEMBL488468 0.93 TSHR (0.57) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL556924 0.93 TSHR (0.57) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL11331724 0.93 TSHR (0.57) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL8845927 0.93 TSHR (0.57) TSHRTHRBLMNASLC22A1DNM1
SCHEMBL487870 0.93 TSHR (0.57) TSHRTHRBLMNASLC22A1DNM1

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-5428159-A Resolution of racemic mixture; reduction CIBA-GEIGY CORPORATION (US) 1995-06-27 US claimed