Isopropylbenzene

Isopropylbenzene

SCHEMBL9457023

C=Cc1ccccc1.CC(C)c1ccccc1.CCc1ccccc1.Cc1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR2 P34972 2/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 3/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ CRHBP P24387 2/20 0.32
▸ CRHR2 Q13324 2/20 0.32

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
Styrene SCHEMBL27498605 0.89 ALDH1A1 (0.54) TP53TSHRALDH1A1TDP1CNR2
Isopropylbenzene SCHEMBL3812095 0.87 TP53 (0.56) TP53TSHRALDH1A1CNR2SMN1; SMN2
Styrene SCHEMBL9769993 0.84 TSHR (0.48) TP53TSHRALDH1A1TDP1CA1
P-Cymene SCHEMBL17652964 0.82 ALDH1A1 (0.54) TP53TSHRALDH1A1TDP1CNR2
Ethylbenzene SCHEMBL28166831 0.82 TP53 (0.54) TP53TSHRALDH1A1TDP1CNR2
Styrene SCHEMBL468925 0.82 ALDH1A1 (0.64) TP53TSHRALDH1A1TDP1CA1
Styrene SCHEMBL11239076 0.82 ALDH1A1 (0.64) TP53TSHRALDH1A1TDP1CA1
Styrene SCHEMBL8030887 0.82 ALDH1A1 (0.64) TP53TSHRALDH1A1TDP1CA1
Styrene SCHEMBL8161037 0.82 ALDH1A1 (0.64) TP53TSHRALDH1A1TDP1CA1
Styrene SCHEMBL11508193 0.82 ALDH1A1 (0.64) TP53TSHRALDH1A1TDP1CA1

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
US-5185400-A Blend with a styrene-conjugated diene block copolymer; food containers PHILLIPS PETROLEUM COMPANY (US) 1993-02-09 — — US disclosed
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