SCHEMBL31017149

SCHEMBL31017149

O=Cc1cc(-c2cccc3cc4ccccc4cc23)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 18/20 0.53
▸ MCL1 Q07820 1/20 0.47
▸ ACMSD Q8TDX5 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.43

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
SCHEMBL5337591 0.88 MCL1 (0.60) ERN1MCL1ACMSDTLR8
SCHEMBL16058511 0.82 ERN1 (0.51) ERN1MCL1ACMSD
SCHEMBL12989293 0.81 ERN1 (0.53) ERN1
SCHEMBL7166417 0.81 MCL1 (0.52) ERN1MCL1ACMSDTLR8
SCHEMBL30462312 0.78 ERN1 (0.55) ERN1
SCHEMBL2788579 0.78 ALOX5 (0.61) ERN1ACMSD
SCHEMBL7643579 0.77 ERN1 (0.46) ERN1
SCHEMBL6196935 0.76 DRD1 (0.45) —
SCHEMBL14236988 0.76 KMT2A (0.43) ERN1
SCHEMBL5340123 0.76 MCL1 (0.56) ERN1MCL1ACMSDTLR8

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-118359630-A Spiropyran derivative, preparation method thereof, photochromic material and photochromic product 安徽省东超科技有限公司 2024-07-19 — — CN disclosed
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