SCHEMBL28434055

SCHEMBL28434055

CCCCCCOC(=O)c1cccc(C(=O)OCCCCCC)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.64
▸ TSHR P16473 3/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ TP53 P04637 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KDM4E B2RXH2 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MMP2 P08253 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MMP1 P03956 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP12 P39900 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ESR1 P03372 3/20 0.50

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
SCHEMBL3885590 0.93 CYP1A2 (0.68) CYP1A2TSHRALDH1A1LMNATP53
SCHEMBL12697419 0.87 CYP1A2 (0.60) CYP1A2TSHRALDH1A1LMNATP53
SCHEMBL8405218 0.86 CYP1A2 (0.72) CYP1A2TSHRALDH1A1LMNATP53
SCHEMBL17449280 0.86 CYP1A2 (0.58) CYP1A2TSHRALDH1A1LMNATP53
SCHEMBL19222484 0.83 CYP1A2 (0.54) CYP1A2TSHRALDH1A1LMNATP53
SCHEMBL5935797 0.83 LMNA (0.62) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL30075579 0.83 CYP1A2 (0.54) CYP1A2TSHRALDH1A1LMNATP53
SCHEMBL29184950 0.83 LMNA (0.62) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL11148883 0.83 LMNA (0.62) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL27684582 0.83 LMNA (0.62) TSHRALDH1A1LMNATP53CYP3A4

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
CN-111449083-A Low-temperature acidic cleaning composition and preparation method and application thereof 上海柯珑清洁技术有限公司 2020-07-28 — — CN disclosed
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