SCHEMBL4876819

SCHEMBL4876819

COC1(C(=O)c2ccccc2)C=CC=CC1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 6/20 0.35
NPC1 O15118 5/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
HTT P42858 2/20 0.34
PGR P06401 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL28350465 0.85 TSHR (0.37) TSHRCES1CES2ALDH1A1SMN1; SMN2
SCHEMBL7801403 0.84 TSHR (0.36) TSHRCES1CES2ALDH1A1SMN1; SMN2
SCHEMBL16566541 0.81 LMNA (0.41) TSHRALDH1A1SMN1; SMN2HSD17B10ALOX15
SCHEMBL30448716 0.76 LMNA (0.36) TSHRCES1CES2ALDH1A1SMN1; SMN2
SCHEMBL28442226 0.76 NPC1 (0.40) TSHRCES1CES2ALDH1A1SMN1; SMN2
SCHEMBL10711342 0.74 CES1 (0.34) TSHRCES1CES2ALDH1A1SMN1; SMN2
SCHEMBL5170532 0.72 POLB (0.35) TSHRHSD17B10KMT2AMAPTMAPK1
SCHEMBL28737646 0.71 CES1 (0.35) TSHRCES1CES2ALDH1A1SMN1; SMN2
SCHEMBL28359782 0.68 LMNA (0.37) TSHRCES1CES2ALDH1A1SMN1; SMN2
SCHEMBL10959754 0.68 NPC1 (0.40) TSHRCES1CES2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080160118-A1 TREATMENT OF SKIN WITH COSMETIC AND DERMATOLOGICAL PREPARATIONS CONTAINING EXTRACTS FROM SEEDS OF PLANTS OF THE GENUS ADENANTHERA MOSER PHILIPPE 2008-07-03 US disclosed
US-4165397-A Repair of glass laminates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-08-21 US disclosed