SCHEMBL9876476

SCHEMBL9876476

CC(C)=C(C)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KEAP1 Q14145 1/20 0.54
FFAR1 O14842 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL10049324 0.82 ALDH1A1 (0.57) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL10556310 0.80 ALDH1A1 (0.55) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL29650929 0.80 ALDH1A1 (0.55) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL10530175 0.80 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL16274 0.80 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL7441543 0.80 ALDH1A1 (0.67) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL4667865 0.79 ALDH1A1 (0.64) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL2163306 0.76 ALDH1A1 (0.61) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL941162 0.76 ALDH1A1 (0.61) ALDH1A1KEAP1FFAR1TDP1HDAC2
SCHEMBL8668318 0.76 ALDH1A1 (0.61) ALDH1A1KEAP1FFAR1TDP1HDAC2

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
US-11479867-B2 Electrocatalytic alkene diazidation CORNELL UNIVERSITY (US) 2022-10-25 US disclosed
CN-107921453-A For distributing the distributor of microcapsules 宝洁公司 2018-04-17 CN disclosed
CN-106457274-A Flush dispenser for delivering a consistent consumer experience 宝洁公司 2017-02-22 CN disclosed
CN-106457271-A Flush dispenser for delivering a consistent consumer experience 宝洁公司 2017-02-22 CN disclosed
CN-106413912-A Flush dispenser for delivering a consistent consumer experience 宝洁公司 2017-02-15 CN disclosed
US-5004815-A Combining thioc ester with ketone or aldehyde to form adduct, cyclization MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1991-04-02 US disclosed
WO-1990012792-A1 METHOD FOR SYNTHESIZING β-LACTONES AND ALKENES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-11-01 WO disclosed