SCHEMBL9370899

SCHEMBL9370899

CC(=O)C(C)C(=O)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 3/20 0.50
POLB P06746 3/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RECQL P46063 1/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
TSHR P16473 1/20 0.41
P2RX7 Q99572 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL11864535 0.85 ALDH1A1 (0.55) CES2CES1ALDH1A1POLBNPC1
SCHEMBL16160309 0.83 CES2 (0.50) CES2CES1ALDH1A1POLBNPC1
SCHEMBL2632778 0.82 CES2 (0.58) CES2CES1ALDH1A1POLBNPC1
SCHEMBL27716911 0.81 ALDH1A1 (0.52) CES2CES1ALDH1A1POLBNPC1
SCHEMBL18074005 0.80 POLB (0.48) CES2CES1ALDH1A1POLBNPC1
SCHEMBL30529376 0.78 CES2 (0.54) CES2CES1ALDH1A1POLBNPC1
SCHEMBL5747509 0.78 CES2 (0.54) CES2CES1ALDH1A1POLBNPC1
SCHEMBL10880796 0.78 KDM4E (0.48) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL12947670 0.78 TSHR (0.49) CES2CES1ALDH1A1NPC1RAB9A
SCHEMBL9376553 0.78 ERCC5 (0.54) CES2CES1ALDH1A1POLBNPC1

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-0239391-B1 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-02 EP disclosed
US-4871751-A 1,2,6-Triphenyl-4(1H)-pyridinone derivatives, and their use as fungicides KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-10-03 US disclosed
US-4757081-A Agriculture, horticulture KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-12 US disclosed
EP-0239391-A2 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-30 EP disclosed