SCHEMBL29111148

SCHEMBL29111148

Cc1ccc(-c2c[nH]nn2)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
TYR P14679 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29480828 0.80 ALPL (0.44) ALDH1A1CA2SMN1; SMN2
SCHEMBL9415766 0.80 ALPL (0.44) ALDH1A1CA2SMN1; SMN2
SCHEMBL3388191 0.77 NPC1 (0.37) ALDH1A1POLBSMN1; SMN2
SCHEMBL5917795 0.76 CA2 (0.44) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL808957 0.75 SMN1; SMN2 (0.40) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL28408503 0.74 MAPT (0.33) ALDH1A1SMN1; SMN2
SCHEMBL28789387 0.73 HPGD (0.48) ALDH1A1POLBSMN1; SMN2
SCHEMBL8897608 0.73 KMT2A (0.47) ALDH1A1POLBSMN1; SMN2
SCHEMBL31621459 0.73 ADORA3 (0.36) ALDH1A1
SCHEMBL16261248 0.72 ALDH1A1 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2

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-115698164-A Additive composition, resin composition containing same, method for producing same, and molded article 株式会社ADEKA 2023-02-03 CN disclosed