SCHEMBL30148113

SCHEMBL30148113

O=C(C1=CCC(F)(Oc2ccc(O)cc2)C=C1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE4D Q08499 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL9680944 0.85 MEN1 (0.40) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL8574305 0.80 ALDH1A1 (0.36) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL29213171 0.78 ALDH1A1 (0.36) MEN1KMT2ANPC1ALDH1A1ELANE
SCHEMBL10629009 0.77 MEN1 (0.43) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL993046 0.76 ALDH1A1 (0.43) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL27427467 0.76 KMT2A (0.33) KMT2ALMNAMAPTALDH1A1HPGD
SCHEMBL2154321 0.76 ALDH1A1 (0.37) MEN1KMT2ANPC1ALDH1A1ELANE
SCHEMBL7420070 0.76 ALDH1A1 (0.39) RAB9AMAPTNPC1ALDH1A1HPGD
SCHEMBL4959091 0.74 ALDH1A1 (0.41) MEN1KMT2ALMNARAB9AMAPT
SCHEMBL19179591 0.74 ALDH1A1 (0.41) MEN1KMT2ALMNARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151549-B Photochromic cyclic compound and curable composition containing the same 株式会社德山 2023-12-19 CN disclosed
EP-4108735-A1 PHOTOCHROMIC CYCLIC COMPOUND AND CURABLE COMPOSITION CONTAINING SAID PHOTOCHROMIC CYCLIC COMPOUND Tokuyama Corporation (JP) 2022-12-28 EP disclosed