SCHEMBL7928527

SCHEMBL7928527

CCC(=O)O[Ti]1(OC(=O)CC)C2c3ccccc3-c3cccc(c32)Cc2cccc3c2C1c1ccccc1-3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.37
ALDH1A1 P00352 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
POLB P06746 1/20 0.33
DRD1 P21728 1/20 0.33
HRH1 P35367 2/20 0.33
CYP1A2 P05177 3/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL7927183 0.93 DRD1 (0.37) HTR2AALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL7928440 0.91 ALDH1A1 (0.40) HTR2AALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL7928647 0.86 POLB (0.42) HTR2AALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL7919221 0.85 ALDH1A1 (0.42) HTR2AALDH1A1MTNR1AMTNR1BDRD1
SCHEMBL7924812 0.84 HTR2A (0.35) HTR2AALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL7924640 0.82 POLB (0.33) POLBCYP1A2TSHRCYP2C19
SCHEMBL7919471 0.81 POLB (0.35) HTR2AMTNR1AMTNR1BPOLBCYP1A2
SCHEMBL7924685 0.81 SRD5A2 (0.35) HTR2ATSHRHDAC4HDAC7HDAC5
SCHEMBL7919398 0.80 HTR2A (0.32) HTR2APOLBHDAC4HDAC7HDAC5
SCHEMBL7925772 0.78 KCNN4 (0.36) HTR2AMTNR1AMTNR1BHDAC4HDAC7

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