SCHEMBL27704685

SCHEMBL27704685

O=C(c1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.74
RXRB P28702 1/20 0.74
ALDH1A1 P00352 2/20 0.73
HTT P42858 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
SRD5A2 P31213 3/20 0.69
GAA P10253 1/20 0.69
MAPT P10636 1/20 0.69
RAB9A P51151 1/20 0.69
MAOB P27338 3/20 0.68
PTGES O14684 1/20 0.65
PPARG P37231 2/20 0.64
MRGPRX4 Q96LA9 1/20 0.62
FFAR1 O14842 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
PARP10 Q53GL7 1/20 0.58

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
SCHEMBL8067849 0.95 SRD5A2 (0.77) RXRARXRBALDH1A1HTTSMN1; SMN2
SCHEMBL402300 0.89 SRD5A2 (0.87) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL3232949 0.87 SRD5A2 (0.90) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL24488963 0.85 RXRA (1.00) RXRARXRBSMN1; SMN2SRD5A2RAB9A
SCHEMBL3172610 0.85 RXRA (1.00) RXRARXRBSMN1; SMN2SRD5A2RAB9A
SCHEMBL8503301 0.84 NR4A2 (0.74) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL31556120 0.84 ALDH1A1 (0.78) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL6238323 0.84 ALDH1A1 (0.73) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL7539817 0.84 SRD5A2 (0.73) ALDH1A1HTTSMN1; SMN2L3MBTL1SRD5A2
SCHEMBL17166051 0.82 RXRA (0.62) RXRARXRBALDH1A1HTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105038760-A Ophthalmic devices comprising photochromic materials having extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE 2015-11-11 CN disclosed
CN-101203582-B Ophthalmic devices comprising photochromic materials with extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-08-19 CN disclosed
CN-104130768-A Ophthalmic devices comprising photochromic materials having extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE 2014-11-05 CN disclosed
CN-101203582-A Ophthalmic devices comprising photochromic materials with extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE (US) 2008-06-18 CN disclosed