SCHEMBL7928576

SCHEMBL7928576

O=C(O[Ti](OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 9/20 0.61
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CES1 P23141 1/20 0.37
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL7927270 0.80 KCNN4 (0.53) KCNN4NPSR1CYP1A2MAPTKMT2A
SCHEMBL7587514 0.79 KCNN4 (0.68) KCNN4NPSR1CYP1A2MAPTKMT2A
SCHEMBL20601822 0.78 KCNN4 (0.61) KCNN4NPSR1CYP1A2MAPTALOX15
SCHEMBL28184135 0.78 KCNN4 (0.61) KCNN4NPSR1CYP1A2MAPTALOX15
SCHEMBL4194518 0.77 KCNN4 (0.65) KCNN4NPSR1CYP1A2MAPTKMT2A
Ammonia Solution, Strong SCHEMBL27883563 0.77 KCNN4 (0.59) KCNN4NPSR1CYP1A2MAPTALOX15
Phosphine SCHEMBL27995517 0.77 KCNN4 (0.59) KCNN4NPSR1CYP1A2MAPTALOX15
SCHEMBL11080904 0.76 KCNN4 (0.63) KCNN4NPSR1CYP1A2MAPTKMT2A
SCHEMBL705717 0.76 KCNN4 (0.63) KCNN4NPSR1CYP1A2MAPTKMT2A
SCHEMBL3885874 0.76 KCNN4 (0.63) KCNN4NPSR1CYP1A2MAPTKMT2A

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