SCHEMBL8196128

SCHEMBL8196128

CC(C)N(C(=O)c1c(-c2cc(O)c3ccccc3c2)cc(O)c2ccccc12)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TRPM4 Q8TD43 1/20 0.38
NQO2 P16083 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MCOLN3 Q8TDD5 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RIPK1 Q13546 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSPO P30536 1/20 0.33

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
SCHEMBL8193018 0.89 TSHR (0.41) TSHRTRPM4NQO2NPSR1HPGD
SCHEMBL9509529 0.71 TSHR (0.41) TSHRNPSR1HPGDKDM4EMCOLN3
SCHEMBL8197824 0.71 ALDH1A1 (0.41) TSHRNPSR1HPGDKDM4EALDH1A1
SCHEMBL8196720 0.68 NQO2 (0.67) TRPM4NQO2HPGDKDM4EALDH1A1
SCHEMBL8174124 0.67 TSHR (0.56) TSHRNPSR1HPGDKDM4EALDH1A1
SCHEMBL28017250 0.67 NQO2 (0.50) TRPM4NQO2HPGDKDM4EALDH1A1
SCHEMBL24952117 0.66 CYP1A2 (0.54) TRPM4NQO2HPGDKDM4EALDH1A1
SCHEMBL28819392 0.64 NQO2 (0.50) TRPM4NQO2HPGDKDM4EALDH1A1
SCHEMBL589557 0.63 NQO2 (0.59) TRPM4NQO2HPGDKDM4EALDH1A1
SCHEMBL6467361 0.63 NQO2 (0.59) TRPM4NQO2HPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103912-A OPTICAL INFRARED FILTERS COMPRISING PH SENSITIVE DYES POLAROID CORPORATION (US) 2000-08-15 US disclosed
EP-0553346-B1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORP (US) 1998-01-28 EP disclosed
US-5244771-A Bridged indicator dyes used as light-absorbing, pH-sensitive optical filter agents in diffusion transfer POLAROID CORPORATION (US) 1993-09-14 US disclosed
EP-0553346-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-08-04 EP disclosed
WO-1993004403-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-03-04 WO disclosed