SCHEMBL7246533

SCHEMBL7246533

CC1=C([Ti](C)(C)NC(=O)C2CCCCC2)C(C)c2c1c1ccccc1c1ccccc21.[SiH4]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 4/20 0.37
GAA P10253 3/20 0.37
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 2/20 0.34
CETP P11597 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6469289 0.76 HDAC8 (0.36) P2RX7SMN1; SMN2HPGDGAATSHR
SCHEMBL7622820 0.76 HDAC8 (0.36) P2RX7SMN1; SMN2HPGDGAATSHR
Hydrochloric Acid SCHEMBL7242340 0.76 P2RX7 (0.38) P2RX7SMN1; SMN2HPGDGAATSHR
SCHEMBL727844 0.75 HDAC8 (0.37) P2RX7SMN1; SMN2HPGDGAATSHR
SCHEMBL5969036 0.74 HPGD (0.37) P2RX7SMN1; SMN2HPGDGAARAB9A
SCHEMBL5968778 0.74 HPGD (0.37) P2RX7SMN1; SMN2HPGDGAARAB9A
SCHEMBL8032409 0.72 GAA (0.36) P2RX7SMN1; SMN2HPGDGAATSHR
SCHEMBL5968791 0.67
SCHEMBL5968790 0.67
Hydrochloric Acid SCHEMBL7239359 0.65 SMN1; SMN2 (0.37) P2RX7SMN1; SMN2HPGDGAATSHR

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
US-6630545-B2 Polymerization catalyst of a metal complex with anionic, polycyclic, fused ring ligand system containing at least 4 fused rings, a cocatalyst and a butadiene or pentadiene THE DOW CHEMICAL COMPANY 2003-10-07 US disclosed
US-20020037981-A1 Polymerization catalyst of a metal complex with anionic, polycyclic, fused ring ligand system containing at least 4 fused rings, a cocatalyst and a butadiene or pentadiene DOW CHEMICAL COMPANY 2002-03-28 US disclosed