SCHEMBL6575951

SCHEMBL6575951

COc1ccc(C(=Cc2ccccc2F)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.60
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 2/20 0.51
AKR1C3 P42330 1/20 0.51
RELA Q04206 1/20 0.50
NFE2L2 Q16236 1/20 0.50
MCL1 Q07820 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPT P10636 2/20 0.44
HSPD1 P10809 1/20 0.44

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
SCHEMBL13950671 0.77 ALDH1A1 (0.70) MEN1KMT2AALDH1A1AKR1C3RELA
SCHEMBL4365603 0.77 ALDH1A1 (0.70) MEN1KMT2AALDH1A1AKR1C3RELA
SCHEMBL4365600 0.77 ALDH1A1 (0.70) MEN1KMT2AALDH1A1AKR1C3RELA
SCHEMBL4539035 0.77 AKR1C3 (0.78) MEN1KMT2AALDH1A1AKR1C3CA1
SCHEMBL8008137 0.77 AKR1C3 (0.78) MEN1KMT2AALDH1A1AKR1C3CA1
SCHEMBL5479175 0.75 MAOB (1.00) MAOBMEN1KMT2AALDH1A1RELA
SCHEMBL5479178 0.75 MAOB (1.00) MAOBMEN1KMT2AALDH1A1RELA
SCHEMBL9220935 0.75 CA1 (0.57) MAOBMEN1KMT2AALDH1A1AKR1C3
SCHEMBL9220929 0.75 CA1 (0.57) MAOBMEN1KMT2AALDH1A1AKR1C3
SCHEMBL8895115 0.74 CA1 (0.61) MAOBMEN1KMT2AALDH1A1AKR1C3

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
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