SCHEMBL7803264

SCHEMBL7803264

C/C(=C\C(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
DEGS1 O15121 1/20 0.41
TRPA1 O75762 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
ESR1 P03372 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ESR2 Q92731 1/20 0.35
DAO P14920 1/20 0.35
TSHR P16473 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
SCHEMBL3631547 1.00 KDM1A (0.42) KDM1ADEGS1TRPA1CES2CES1
SCHEMBL10591109 1.00 KDM1A (0.42) KDM1ADEGS1TRPA1CES2CES1
Hydrogen Peroxide SCHEMBL9619642 1.00 KDM1A (0.42) KDM1ADEGS1TRPA1CES2CES1
SCHEMBL7550545 0.84 KDM1A (0.41) KDM1ADEGS1TRPA1CES2CES1
SCHEMBL11342328 0.81 ESR1 (0.56) ESR1SMN1; SMN2NPSR1LMNAMAPT
SCHEMBL27574053 0.81 KDM1A (0.42) KDM1ADEGS1TRPA1CES2CES1
SCHEMBL6548208 0.80 TRPA1 (0.58) KDM1ADEGS1TRPA1LMNAALDH1A1
SCHEMBL6548210 0.80 TRPA1 (0.58) KDM1ADEGS1TRPA1LMNAALDH1A1
SCHEMBL9243003 0.79 KDM1A (0.41) KDM1ADEGS1TRPA1CES2CES1
SCHEMBL5310178 0.79 DEGS1 (0.40) KDM1ADEGS1TRPA1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072623-A2 Polyvalent metal salts of salicyclic acid resin and process for the preparation thereof Daedong Company, Ltd. (KR) 2001-01-31 EP disclosed
EP-0714785-B1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 1999-01-07 EP disclosed
EP-0659580-B1 Polyvalent metal salt of salicylic acid resin and process for preparing it MITSUI TOATSU CHEMICALS (JP) 1997-08-20 EP disclosed
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
US-5525686-A Polyvalent metal salt of salicyclic acid resin and process for preparing it MITSUI TOATSU CHEMICALS, INC. (JP) 1996-06-11 US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed
EP-0659580-A1 Polyvalent metal salt of salicylic acid resin and process for preparing it MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-06-28 EP disclosed