SCHEMBL28097663

SCHEMBL28097663

CC(C)(C)CC(C)(C)c1ccc(OC(c2c(C(C)(C)C)cc(CN)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SHBG P04278 1/20 0.30

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
SCHEMBL996129 0.88 SMN1; SMN2 (0.35) CYP3A4SMN1; SMN2USP2LMNAHSD17B10
SCHEMBL27801956 0.87 RECQL (0.32)
SCHEMBL5016254 0.80 SMN1; SMN2 (0.39) CYP3A4SMN1; SMN2USP2LMNAHSD17B10
SCHEMBL28273784 0.79
SCHEMBL674846 0.76 CYP3A4 (0.35) CYP3A4SMN1; SMN2USP2LMNAHSD17B10
SCHEMBL27658040 0.76 MEN1 (0.33) CYP3A4LMNA
SCHEMBL996128 0.74 CNR2 (0.44)
SCHEMBL997016 0.74 KDM4E (0.33) SMN1; SMN2USP2
SCHEMBL28827517 0.74 MEN1 (0.32) CYP3A4LMNA
SCHEMBL27801952 0.74 MEN1 (0.31) CYP3A4LMNA

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-104937034-B Daiamid composition and formed products 旭化成株式会社 2016-08-24 CN disclosed