SCHEMBL8155332

SCHEMBL8155332

CC(=O)[Ti](C(C)=O)(C(C)=O)C1C=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 2/20 0.32
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
RET P07949 2/20 0.31
LMNA P02545 4/20 0.31
SIGMAR1 Q99720 2/20 0.31
USP2 O75604 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
SCHEMBL8678223 0.80 MAPT (0.38) ALDH1A1SMN1; SMN2TDP1ATMLMNA
SCHEMBL7927122 0.79 POLB (0.42) POLBMEN1KMT2ABRD4CCL2
SCHEMBL7919128 0.78 POLB (0.41) POLBMEN1KMT2ABRD4CCL2
SCHEMBL3699818 0.75 HTR2A (0.38) MEN1KMT2ABRD4CCL2HTR6
SCHEMBL31427622 0.75 HTR2A (0.38) MEN1KMT2ABRD4CCL2HTR6
SCHEMBL7196286 0.75 HTR2A (0.38) MEN1KMT2ABRD4CCL2HTR6
SCHEMBL7931030 0.74 RET (0.37) POLBHTR6HTR2ASMN1; SMN2RET
Hydrochloric Acid SCHEMBL9010244 0.73 CYP2D6 (0.32) POLBBRD4CCL2CYP2D6SIGMAR1
SCHEMBL7928317 0.73 POLB (0.34) POLBMEN1KMT2A
SCHEMBL7919463 0.73 POLB (0.34) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100352-A USING A CATALYST CONSISTING OF A TRANSITION METAL COMPOUND, A COMPOUND CAPABLE OF FORMING AN IONIC COMPOUND BY REACTING WITH THE TRANSITION METAL COMPOUND OR AN OXYGEN-CONTAINING COMPOUND SUCH AS ALUMINOXANE IDEMITSU KOSAN CO., LTD. (JP) 2000-08-08 US disclosed
EP-0810238-B1 A process for producing polymer IDEMITSU KOSAN CO (JP) 2000-02-02 EP disclosed
US-5916982-A Process for the production of polyolefins NIPPON OIL CO., LTD. (JP) 1999-06-29 US disclosed
EP-0810238-A1 A process for producing polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0768319-A1 Process for the production of polyolefins NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed