SCHEMBL6672796

SCHEMBL6672796

COc1ccccc1C(=Cc1ccc(N2CCCCC2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
GFER P55789 2/20 0.62
AHR P35869 1/20 0.62
TP53 P04637 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.49
TYR P14679 1/20 0.49
LMNA P02545 2/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 1/20 0.47
SLC16A3 O15427 2/20 0.47
SLC16A1 P53985 2/20 0.47
AKR1C2 P52895 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6673030 0.89 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1GFER
SCHEMBL6576793 0.82 AKR1C2 (0.56) RAB9ANPC1AKR1C2ALDH1A1HTT
SCHEMBL19436969 0.74 MAPT (0.52) MAPTRAB9ASMN1; SMN2GAALMNA
SCHEMBL19436968 0.74 MAPT (0.52) MAPTRAB9ASMN1; SMN2GAALMNA
SCHEMBL141710 0.71 MAPT (0.63) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL8474824 0.71 CA12 (0.55) RAB9ASMN1; SMN2NPC1TP53AKR1C2
SCHEMBL8474827 0.71 CA12 (0.55) RAB9ASMN1; SMN2NPC1TP53AKR1C2
SCHEMBL19436960 0.70 AKR1C2 (0.56) MAPTRAB9ASMN1; SMN2NPC1GAA
SCHEMBL19436961 0.70 AKR1C2 (0.56) MAPTRAB9ASMN1; SMN2NPC1GAA
SCHEMBL12632097 0.69 HSD17B10 (0.54) MAPTRAB9ANPC1LMNAMAPK1

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-1458695-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-09-22 EP disclosed
WO-2003057679-A9 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE (US) 2004-02-26 WO disclosed
WO-2003057679-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-07-17 WO disclosed