SCHEMBL29809642

SCHEMBL29809642

Oc1ccc2ccc3c(c2c1)C=CCO3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.41
CYP1B1 Q16678 6/20 0.41
APP P05067 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP1A1 P04798 6/20 0.39
MTNR1A P48039 2/20 0.37
MTNR1B P49286 1/20 0.37
CYP2B6 P20813 1/20 0.35
MCL1 Q07820 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HTR5A P47898 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8120099 0.89 CYP1A2 (0.43) CYP1A2CYP1B1APPCYP3A4CYP1A1
Phenol SCHEMBL28029036 0.80 CYP1A2 (0.44) CYP1A2CYP1B1APPCYP1A1MTNR1A
SCHEMBL87841 0.77 CA12 (0.47) CYP1A2CYP1B1CYP1A1MTNR1AMTNR1B
SCHEMBL29756136 0.77 CA12 (0.47) CYP1A2CYP1B1CYP1A1MTNR1AMTNR1B
SCHEMBL1041972 0.77 CA12 (0.47) CYP1A2CYP1B1CYP1A1MTNR1AMTNR1B
SCHEMBL28847307 0.77 CYP1A2 (0.44) CYP1A2CYP1B1CYP1A1MTNR1AMTNR1B
SCHEMBL372269 0.73 HPRT1 (0.47) CYP1A2CYP1B1CYP1A1MTNR1AMTNR1B
Phosphoric Acid SCHEMBL31540356 0.73 CA12 (0.44) CYP1A2CYP1B1CYP1A1MTNR1AMTNR1B
SCHEMBL1192912 0.73 CYP3A4 (0.45) CYP1A2CYP1B1CYP3A4CYP1A1CYP2B6
SCHEMBL29790627 0.73 CYP3A4 (0.45) CYP1A2CYP1B1CYP3A4CYP1A1CYP2B6

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-4274863-A2 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2023-11-15 EP disclosed
WO-2022148752-A9 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2023-08-03 WO disclosed
WO-2022148752-A2 PHOTOCHROMIC DYES AND POLYMERIC MATRIX FOR AN EFFICIENT DIMMING FILM Sony Group Corporation (JP) 2022-07-14 WO disclosed