SCHEMBL8970949

SCHEMBL8970949

CC(C)c1ccc(CC(C=O)CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
ACACB O00763 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ESR1 P03372 2/20 0.40
TSHR P16473 2/20 0.40
ALB P02768 1/20 0.40
ALOX5 P09917 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CXCL8 P10145 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
SCHEMBL10629735 0.84 TYR (0.44) TYRACACBPTGS1PTGS2LMNA
SCHEMBL765451 0.81 TYR (0.41) TYRACACBPTGS1PTGS2LMNA
SCHEMBL29487262 0.77 TSHR (0.61) TYRACACBPTGS1PTGS2LMNA
SCHEMBL1148 0.77 TSHR (0.61) TYRACACBPTGS1PTGS2LMNA
SCHEMBL27309457 0.77 TRPA1 (0.48) PTGS1TSHREPHX1TRPA1
SCHEMBL9744706 0.76 SMN1; SMN2 (0.41) TYRESR1TSHRIDO1ESR2
SCHEMBL28245936 0.76 TYR (0.47) TYRACACBPTGS1PTGS2LMNA
SCHEMBL1219827 0.75 ESR1 (0.45) ACACBPTGS1PTGS2LMNACYP2C9
SCHEMBL20610522 0.75 ESR1 (0.45) ACACBPTGS1PTGS2LMNACYP2C9
SCHEMBL10078239 0.74 IDO1 (0.46) TYRACACBTSHRIDO1EPHX1

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-5506051-A LAMINATE HAVING RADIATION-CURED URETHANE ACRYLATE OR POLYETHER ACRYLATE OLIGOMERS; ELONGATION, TOUGHNESS NICOLECTRONIX LTD. LABORATORIES (IL) 1996-04-09 US disclosed