SCHEMBL6574617

SCHEMBL6574617

COc1ccc(C(=O)c2ccc(OC)cc2-c2ccccc2F)c(-c2ccccc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
PGR P06401 2/20 0.53
HPGD P15428 2/20 0.53
SLC6A2 P23975 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
AR P10275 1/20 0.53
CHRM1 P11229 1/20 0.53
ALOX15 P16050 1/20 0.53
TBXA2R P21731 1/20 0.53
ADRA1A P35348 1/20 0.53
HIF1A Q16665 1/20 0.53
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 3/20 0.48
CYP2D6 P10635 1/20 0.48
PDE4A P27815 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL5511462 0.81 LMNA (0.59) LMNACYP1A2PGRHPGDSLC6A2
SCHEMBL28036196 0.80 SMN1; SMN2 (0.60) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL8782870 0.79 CYP1A2 (0.57) LMNACYP1A2PGRHPGDSLC6A2
SCHEMBL22537008 0.78 NPC1 (0.55) CYP1A2CYP2C19CYP3A4RAB9ANPC1
SCHEMBL4935615 0.77 NPC1 (0.60) LMNACYP1A2PGRHPGDSLC6A2
SCHEMBL28588853 0.77 HDAC4 (0.58) CYP1A2CYP2C19CYP3A4RAB9ANPC1
SCHEMBL4392160 0.76 NPC1 (0.53) LMNACYP1A2PGRHPGDSLC6A2
SCHEMBL10659109 0.76 HPGD (0.54) LMNACYP1A2PGRHPGDSLC6A2
SCHEMBL2702904 0.76 LMNA (0.54) LMNACYP1A2PGRHPGDSLC6A2
SCHEMBL3624848 0.76 CDC25B (0.55) LMNACYP1A2PGRHPGDSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354270-C Photochromic oxazine compounds and methods for their manufacture JOHNSON & JOHNSON VISION CARE (FR) 2007-12-12 CN disclosed
CN-1612867-A Photochromic oxazine compounds and methods of making the same JOHNSON & JOHNSON VISION CARE (US) 2005-05-04 CN disclosed
EP-1458695-A1 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-09-22 EP disclosed
EP-1446390-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2004-08-18 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
WO-2003042195-A2 PHOTOCHROMIC OXAZINE COMPOUNDS AND METHODS FOR THEIR MANUFACTURE JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-05-22 WO disclosed