SCHEMBL2596774

SCHEMBL2596774

CC(C)Cc1ccc2[nH]c3ccc(CC(C)C)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 1/20 0.48
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KIF11 P52732 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
XDH P47989 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL30618022 1.00 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL30618021 0.91 KIF11 (0.53) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL19901835 0.91 KIF11 (0.53) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL31549972 0.91 KIF11 (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL28327414 0.84 GABRA1 (0.46) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL5018918 0.83 ALDH1A1 (0.46) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL15847864 0.83 KIF11 (0.52) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL15034733 0.80 KIF11 (0.67) ALDH1A1KDM4EHSD17B10GABRA1GABRB2
SCHEMBL10112472 0.78 FDPS (0.38) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL263193 0.78 TLR8 (0.33) KMT2AMAPTMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987104-A Organic compound and application thereof 北京鼎材科技有限公司 2023-11-03 CN disclosed
US-11001757-B2 Heterocyclic liquid crystal composition, reverse-mode polymer dispersed liquid crystal element, and selectively dimmable device NITTO DENKO CORPORATION (JP) 2021-05-11 US disclosed
WO-2011146044-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2011-11-24 WO disclosed