SCHEMBL9688635

SCHEMBL9688635

CC(C)(C)OC(=O)NC[C@@H]1CCc2ccc(OCC(=O)O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 1/20 0.45
ACACB O00763 6/20 0.45
ADRB3 P13945 3/20 0.44
ADRB1 P08588 1/20 0.44
ACACA Q13085 3/20 0.43
HDAC8 Q9BY41 4/20 0.43
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL9688045 1.00 ALOX15 (0.49) ALOX15TSHRHSD17B10DRD2ACACB
SCHEMBL9688057 1.00 ALOX15 (0.49) ALOX15TSHRHSD17B10DRD2ACACB
SCHEMBL8757882 0.91 ACACB (0.47) ALOX15TSHRHSD17B10DRD2ACACB
SCHEMBL9365135 0.86 ALOX15 (0.52) ALOX15TSHRHSD17B10ADRB3ADRB1
SCHEMBL9132962 0.84 DRD2 (0.53) DRD2ACACBACACA
SCHEMBL5681677 0.83 MTNR1A (0.53) ALOX15TSHRHSD17B10DRD2ADRB3
SCHEMBL7035289 0.83 MTNR1A (0.53) ALOX15TSHRHSD17B10DRD2ADRB3
SCHEMBL9361441 0.82 DRD2 (0.50) DRD2ACACBACACA
SCHEMBL9133081 0.82 DRD2 (0.50) DRD2ACACBACACA
SCHEMBL9362314 0.82 DRD2 (0.50) DRD2ACACBACACA

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-5130339-A Intestine and uterine motility modulators for reduction of intraocular pressure for glaucoma treatment SANOFI (FR) 1992-07-14 US disclosed