SCHEMBL8979266

SCHEMBL8979266

C=CC(F)C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAOB P27338 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NFE2L2 Q16236 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL29290527 0.78 ALDH1A1 (0.46) ALDH1A1MAOBNFE2L2CYP1A2LMNA
SCHEMBL4885478 0.77 ALDH1A1 (0.46) ALDH1A1MAOBTSHRMEN1KMT2A
SCHEMBL6837422 0.77 CYP1A2 (0.48) ALDH1A1MAOBTSHRMEN1KMT2A
SCHEMBL8521687 0.77 MAOB (0.50) ALDH1A1MAOBMEN1KMT2ANFE2L2
SCHEMBL9113664 0.77 MAOB (0.50) ALDH1A1MAOBMEN1KMT2ANFE2L2
SCHEMBL6716428 0.76 ALDH1A1 (0.44) ALDH1A1MAOBTSHRMEN1KMT2A
SCHEMBL7383082 0.75 CYP1A2 (0.50) ALDH1A1MAOBNFE2L2CYP1A2LMNA
SCHEMBL526122 0.74 ALDH1A1 (0.48) ALDH1A1MAOBTSHRMEN1KMT2A
SCHEMBL13759882 0.74 ALDH1A1 (0.48) ALDH1A1MAOBTSHRMEN1KMT2A
SCHEMBL11075392 0.74 HTR2A (0.42) ALDH1A1MAOBTSHRMEN1KMT2A

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
EP-0541395-B1 Coating agents TAKEMOTO OIL & FAT CO LTD (JP) 1996-05-08 EP disclosed
US-5501904-A POLYSILOXANE-VINYL GRAFT POLYMER TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1996-03-26 US disclosed
US-5405691-A Polysiloxane-polyvinyl graft copolymer TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 1995-04-11 US disclosed
EP-0541395-A1 Coating agents Takemoto Yushi Kabushiki Kaisha (JP) 1993-05-12 EP disclosed