Isopropylbenzene

Isopropylbenzene

SCHEMBL25311758

CC(C)OC(=O)OOOC(C)(C)C.CC(C)c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33

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
Isopropylbenzene SCHEMBL2319730 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10TDP1HTT
Isopropylbenzene SCHEMBL25311754 0.91 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1HTT
SCHEMBL2319733 0.85 TDP1 (0.35) ALDH1A1TSHRTDP1CYP2D6CYP2C9
SCHEMBL20917367 0.83 TSHR (0.67) ALDH1A1TSHRHSD17B10TDP1HTT
SCHEMBL24277 0.82 TSHR (0.37) ALDH1A1TSHRHSD17B10TDP1HCAR2
SCHEMBL9505462 0.81 TSHR (0.36) TSHR
Isopropylbenzene SCHEMBL5154885 0.80 TSHR (0.42) ALDH1A1TSHRHTTPDCD1CD274
SCHEMBL9762973 0.79 TSHR (0.56) ALDH1A1TSHRHSD17B10TDP1HTT
Isopropylbenzene SCHEMBL8373967 0.77 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10TDP1CYP2D6
SCHEMBL11048609 0.75 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1CYP2D6

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
WO-2023138864-A1 RESIST UNDER-LAYER FOR USE IN A LITHOGRAPHIC APPARATUS ASML NETHERLANDS B.V. (NL) 2023-07-27 WO claimed
WO-2023138864-A1 RESIST UNDER-LAYER FOR USE IN A LITHOGRAPHIC APPARATUS ASML NETHERLANDS B.V. (NL) 2023-07-27 WO disclosed