SCHEMBL28890805

SCHEMBL28890805

CCC(C)(C)c1ccccc1N(c1ccccc1)C(C)(C)CC

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 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
SCHEMBL3451643 0.80 KMT2A (0.39) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3450294 0.79 ESR1 (0.31) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL252529 0.73 ALDH1A1 (0.33) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL14923085 0.72 TAAR1 (0.39) MEN1CYP3A4CYP2C9CYP2C19KMT2A
Acetic Acid SCHEMBL10718765 0.71 RIPK1 (0.38) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL779788 0.71 MAPK1 (0.41) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL92691 0.69 ALDH1A1 (0.39) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL23251118 0.69 SIGMAR1 (0.38) CYP2C9CYP2C19KMT2ATSHRALDH1A1
SCHEMBL28139733 0.69 CNR2 (0.36) KMT2AALDH1A1
SCHEMBL26494973 0.69 ALDH1A1 (0.37) MEN1CYP3A4CYP2C9CYP2C19KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111788235-B Polymerizable liquid crystal composition 住友化学株式会社 2022-10-18 CN disclosed
CN-111954836-B Optical anisotropic film 住友化学株式会社 2022-10-11 CN disclosed