SCHEMBL28196597

SCHEMBL28196597

[CH]=C(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ELANE P08246 2/20 0.38
CES1 P23141 4/20 0.38
CES2 O00748 3/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 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
SCHEMBL8576250 0.72 ATM (0.42) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL3011527 0.72 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL6283617 0.72 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL5709683 0.72 POLB (0.42) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL8576252 0.72 ATM (0.42) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL7698518 0.70 CES1 (0.44) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL32670851 0.70 POLB (0.37) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL149632 0.69
SCHEMBL226691 0.68 CES1 (0.58) ALDH1A1TSHRTDP1HSD17B10ELANE
SCHEMBL14527931 0.68 F2 (0.46) ALDH1A1TSHRTDP1HSD17B10ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108289828-A Polyacrylate, preparation method and use its application 莫门蒂夫性能材料股份有限公司 2018-07-17 CN disclosed
CN-107666898-A AEROSOL HAIRSPRAY PRODUCT COMPRISING A SPRAYING DEVICE 宝洁公司 2018-02-06 CN disclosed