SCHEMBL7931069

SCHEMBL7931069

CC1C2=C(CCCC2)C2=C1C([Ti+2]OC(=O)c1cccc3ccccc13)CCC2.C[O-].C[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
TLR2 O60603 1/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CDC25B P30305 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
CNR1 P21554 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
Hydrochloric Acid SCHEMBL7927331 0.97 GAA (0.36) KMT2AGAAPOLBADRB2ADRB1
SCHEMBL7928350 0.84 LMNA (0.33) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7925421 0.83 KMT2A (0.36) KMT2AGAAPOLBADRB2ADRB1
SCHEMBL7925366 0.81 KMT2A (0.35) KMT2AGAAPOLBADRB2ADRB1
SCHEMBL7925418 0.79 GAA (0.36) KMT2AGAAPOLBADRB2ADRB1
Hydrochloric Acid SCHEMBL7925472 0.78 GAA (0.38) KMT2AGAAPOLBADRB2ADRB1
Hydrochloric Acid SCHEMBL7925463 0.78 KMT2A (0.43) KMT2AGAAPOLBADRB2ADRB1
SCHEMBL7928302 0.78 MEN1 (0.35) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL7919162 0.78
SCHEMBL7927412 0.78 GAA (0.36) KMT2AGAAPOLBADRB2ADRB1

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
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed