SCHEMBL8748624

SCHEMBL8748624

Cc1ccc(CCC(=O)C(=[N+]=[N-])C(=O)CCc2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 3/20 0.49
PLAAT5 Q96KN8 3/20 0.49
PLAAT2 Q9NWW9 3/20 0.49
PLAAT4 Q9UL19 3/20 0.49
FFAR1 O14842 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8749106 0.84 ALDH1A1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL9403974 0.82 PLAAT3 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL8748832 0.81 KEAP1 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL8748648 0.81 F2RL1 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL8749134 0.81 L3MBTL1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL9404008 0.79 CA2 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL9404044 0.78 ALDH1A1 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
Ammonia Solution, Strong SCHEMBL9404032 0.78 CA2 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL456926 0.78 ALDH1A1 (0.44) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL9404036 0.77 ALDH1A1 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0323050-B1 Photosensitive compound WAKO PURE CHEM IND LTD (JP) 1994-11-02 EP disclosed
US-5250669-A Thermostability, photoresists WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed
EP-0323050-A2 Photosensitive compound WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1989-07-05 EP disclosed