SCHEMBL7781045

SCHEMBL7781045

CCOc1cc(OCC)c(N)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CREBBP Q92793 1/20 0.41
NOTUM Q6P988 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL8477818 0.82 TSHR (0.42) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL4849392 0.81 TSHR (0.51) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL4959311 0.81 TSHR (0.51) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL4395957 0.80 TSHR (0.50) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL19873254 0.80 TSHR (0.58) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL14562274 0.80 TSHR (0.48) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL6154976 0.79 TSHR (0.49) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL7516232 0.78 TSHR (0.46) TSHRHSD17B10KDM4ESMN1; SMN2TP53
SCHEMBL4844621 0.77 KDM4E (0.70) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL4850809 0.77 KDM4E (0.50) TSHRHSD17B10KDM4ESMN1; SMN2LMNA

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-0781767-B1 Process for producing isatoic anhydrides SUMITOMO CHEMICAL CO (JP) 2001-09-05 EP disclosed
US-5981749-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-11-09 US disclosed
US-5795984-A Process for producing isatoic anhydrides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-18 US disclosed