SCHEMBL22240495

SCHEMBL22240495

Cc1ccc(-c2c(C)ccc(-c3c(C)ccc(-c4c(C)cccc4O)c3O)c2O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
CTSG P08311 1/20 0.45
TRPA1 O75762 4/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
BRCA1 P38398 1/20 0.41
RECQL P46063 1/20 0.41
DHODH Q02127 1/20 0.41
PDK2 Q15119 1/20 0.41
LMNA P02545 4/20 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
SCHEMBL22240498 0.83 ELANE (0.36) ELANECTSGTRPA1CYP1A2CYP2C19
SCHEMBL24523191 0.77 PDK2 (0.45) ELANECTSGTRPA1CYP1A2CYP2C19
SCHEMBL7642852 0.76 TDP1 (0.52) ELANECTSGTRPA1CYP1A2CYP2C19
SCHEMBL30535832 0.75 TRPA1 (0.50) ELANECTSGTRPA1CYP1A2CYP2C19
SCHEMBL7583763 0.75 TRPA1 (0.50) ELANECTSGTRPA1CYP1A2CYP2C19
SCHEMBL17753408 0.75 TRPA1 (0.47) ELANECTSGTRPA1CYP1A2CYP2C19
Ethane SCHEMBL3334588 0.74 ELANE (0.42) ELANECTSGTRPA1CYP1A2CYP2C19
SCHEMBL11498854 0.74 ALDH1A1 (0.61) TRPA1CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL28115904 0.74 TRPA1 (0.48) ELANECTSGTRPA1CYP1A2CYP2C19
SCHEMBL2934180 0.72 ALDH1A1 (0.46) ELANECTSGTRPA1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3683284-A1 BUTYL RUBBER REACTIVE BONDING LAYER FOR PRE-PAVING REACTIVE-BONDING WATERPROOFING COILED MATERIAL, PREPARATION METHOD THEREFOR, AND PRE-PAVING REACTIVE-BONDING WATERPROOFING COILED MATERIAL Beijing Oriental Yuhong Waterproof Technology Co., Ltd. (CN) 2020-07-22 EP disclosed