SCHEMBL7928440

SCHEMBL7928440

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HTR2A P28223 3/20 0.36
LMNA P02545 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MTNR1A P48039 8/20 0.34
MTNR1B P49286 8/20 0.34
POLB P06746 1/20 0.33
SLC18A3 Q16572 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL7919221 0.94 ALDH1A1 (0.42) ALDH1A1HTR2ALMNAHTR1ADRD2
SCHEMBL7928527 0.91 HTR2A (0.37) ALDH1A1HTR2ADRD1NPC1RAB9A
SCHEMBL7928647 0.85 POLB (0.42) ALDH1A1HTR2ANPC1RAB9AMTNR1A
SCHEMBL7925410 0.84 ALDH1A1 (0.33) ALDH1A1LMNAPOLBCYP1A2TSHR
SCHEMBL7927183 0.84 DRD1 (0.37) ALDH1A1HTR2AHTR1ADRD2DRD1
SCHEMBL7924812 0.82 HTR2A (0.35) ALDH1A1HTR2ALMNARAB9AMTNR1A
SCHEMBL7919471 0.81 POLB (0.35) HTR2ANPC1RAB9AMTNR1AMTNR1B
SCHEMBL7924685 0.80 SRD5A2 (0.35) HTR2ALMNARAB9ATSHR
SCHEMBL7919398 0.79 HTR2A (0.32) HTR2ARAB9APOLB
SCHEMBL7930312 0.78 KMT2A (0.37) ALDH1A1LMNAPOLBCYP1A2CYP2C19

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